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Product No: CJ0112

tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate, 95%

Name: tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate
Brand: Chempure

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CAS Number

5854-78-4

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IUPAC name	tert-butyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
canonical smiles	CC(C(C(=O)OC(C)(C)C)N)OC(C)(C)C
inchi	InChI=1S/C12H25NO3/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7/h8-9H,13H2,1-7H3/t8-,9+/m1/s1
inchi key	PPDIUNOGUIAFLV-BDAKNGLRSA-N
molecular formula	C12H25NO3
synonyms	5854-78-4 H-Thr(tBu)-OtBu O-tert-Butyl-L-threonine tert-Butyl Ester (2S,3R)-tert-Butyl 2-amino-3-(tert-butoxy)butanoate O-tert-Butylthreoninetert-butyl ester

Computed Properties

Molecular Weight:	231.33 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	6
Exact Mass:	231.18344366 g/mol
Monoisotopic Mass:	231.18344366 g/mol
Topological Polar Surface Area:	61.6 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	238
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	2
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

O-tert-Butyl-L-threonine

(2S,3R)-tert-Butyl 2-amino-3-(tert-butoxy)butanoate

(S)-Methyl 2-amino-3-(tert-butoxy)propanoate

Threonine tert-butyl ester

H-Ser(tBu)-OtBu HCl

(2S,3R)-tert-Butyl 2-amino-3-hydroxybutanoate hydrochloride

H-Thr(tBu)-OMe.HCl

L-Threonine,O-(1,1-dimethylethyl)-,methylester

tert-butyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate

CID 6951356

Methyl 2-amino-3-(tert-butoxy)butanoate hydrochloride

Methyl 2-amino-3-(tert-butoxy)propanoate

(2S,3R)-tert-Butyl 2-amino-3-(tert-butoxy)butanoate acetate

Methyl (2R)-2-amino-3-(tert-butoxy)propanoate

O-t-butyl-l-threo-nine

hazard signal	Warning
hazard classes and categories	Flam. Liq. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501
hazard statements	H227 (100%): Combustible liquid [Warning Flammable liquids] 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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*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	tert-butyl (2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
canonical smiles	CC(C(C(=O)OC(C)(C)C)N)OC(C)(C)C
inchi	InChI=1S/C12H25NO3/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7/h8-9H,13H2,1-7H3/t8-,9+/m1/s1
inchi key	PPDIUNOGUIAFLV-BDAKNGLRSA-N
molecular formula	C12H25NO3
synonyms	5854-78-4 H-Thr(tBu)-OtBu O-tert-Butyl-L-threonine tert-Butyl Ester (2S,3R)-tert-Butyl 2-amino-3-(tert-butoxy)butanoate O-tert-Butylthreoninetert-butyl ester

Computed Properties

Molecular Weight:	231.33 g/mol
XLogP3:	1.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	6
Exact Mass:	231.18344366 g/mol
Monoisotopic Mass:	231.18344366 g/mol
Topological Polar Surface Area:	61.6 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	238
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	2
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

O-tert-Butyl-L-threonine

(2S,3R)-tert-Butyl 2-amino-3-(tert-butoxy)butanoate

(S)-Methyl 2-amino-3-(tert-butoxy)propanoate

Threonine tert-butyl ester

H-Ser(tBu)-OtBu HCl

(2S,3R)-tert-Butyl 2-amino-3-hydroxybutanoate hydrochloride

H-Thr(tBu)-OMe.HCl

L-Threonine,O-(1,1-dimethylethyl)-,methylester

tert-butyl (2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoate

CID 6951356

Methyl 2-amino-3-(tert-butoxy)butanoate hydrochloride

Methyl 2-amino-3-(tert-butoxy)propanoate

(2S,3R)-tert-Butyl 2-amino-3-(tert-butoxy)butanoate acetate

Methyl (2R)-2-amino-3-(tert-butoxy)propanoate

O-t-butyl-l-threo-nine

hazard signal	Warning
hazard classes and categories	Flam. Liq. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501
hazard statements	H227 (100%): Combustible liquid [Warning Flammable liquids] 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: CJ0112

tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate, 95%

Product No: CJ0112

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: CJ0112

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?