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Product No: DX8428

3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanoic acid(3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanoic acid), 97%

Name: 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanoic acid(3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanoic acid)
Brand: Chempure

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CAS Number

154775-43-6

Molecular Weight

257.33

Formula

C13H23NO4

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IUPAC name	3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
canonical smiles	CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)O
inchi	InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
inchi key	XWZDPNBLQJCKNC-UHFFFAOYSA-N
molecular formula	C13H23NO4
synonyms	154775-43-6 1-Boc-piperidin-4-ylpropionic acid 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanoic acid 154375-43-6 N-Boc-4-piperidinepropionic acid

Computed Properties

Molecular Weight:	257.33 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	5
Exact Mass:	257.16270821 g/mol
Monoisotopic Mass:	257.16270821 g/mol
Topological Polar Surface Area:	66.8 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	301
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

1-Boc-piperidin-4-ylacetic acid

3-(4-Phenoxyphenyl)propanoic acid

1-Boc-2-methylpiperidine-4-carboxylic Acid

(2E)-3-(4-isobutoxy-3-methoxyphenyl)acrylic acid

3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanoic acid

tert-Butyl 4-((methylsulfonyl)oxy)piperidine-1-carboxylate

N-Boc-4-carboxymethoxypiperidine

6,7-Dichloro-2-isopropyl-1-oxo-5-indanyloxyacetic acid

(s)-1-Boc-piperidine-3-carboxylic acid

Tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

Communiol A

2-(tert-Butoxycarbonyl)-2-azaspiro[3.3]heptane-6-carboxylic acid

7-(Tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid

5-(Tert-butoxycarbonyl)-5-azaspiro[2.3]hexane-1-carboxylic acid

3-[4-(3-Methylbut-3-en-1-ynyl)phenyl]propanoic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%) Eye Irrit. 2A (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid
canonical smiles	CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)O
inchi	InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
inchi key	XWZDPNBLQJCKNC-UHFFFAOYSA-N
molecular formula	C13H23NO4
synonyms	154775-43-6 1-Boc-piperidin-4-ylpropionic acid 3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanoic acid 154375-43-6 N-Boc-4-piperidinepropionic acid

Computed Properties

Molecular Weight:	257.33 g/mol
XLogP3:	1.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	5
Exact Mass:	257.16270821 g/mol
Monoisotopic Mass:	257.16270821 g/mol
Topological Polar Surface Area:	66.8 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	301
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

1-Boc-piperidin-4-ylacetic acid

3-(4-Phenoxyphenyl)propanoic acid

1-Boc-2-methylpiperidine-4-carboxylic Acid

(2E)-3-(4-isobutoxy-3-methoxyphenyl)acrylic acid

3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanoic acid

tert-Butyl 4-((methylsulfonyl)oxy)piperidine-1-carboxylate

N-Boc-4-carboxymethoxypiperidine

6,7-Dichloro-2-isopropyl-1-oxo-5-indanyloxyacetic acid

(s)-1-Boc-piperidine-3-carboxylic acid

Tert-butyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

Communiol A

2-(tert-Butoxycarbonyl)-2-azaspiro[3.3]heptane-6-carboxylic acid

7-(Tert-butoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid

5-(Tert-butoxycarbonyl)-5-azaspiro[2.3]hexane-1-carboxylic acid

3-[4-(3-Methylbut-3-en-1-ynyl)phenyl]propanoic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%) Eye Irrit. 2A (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: DX8428

3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanoic acid(3-(1-(tert-Butoxycarbonyl)piperidin-4-yl)propanoic acid), 97%

Product No: DX8428

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: DX8428

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?