1-Benzylpiperidine-4-carboxylic Acid, >98.0%

Name: 1-Benzylpiperidine-4-carboxylic Acid
Brand: Chempure

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CAS Number

10315-07-8

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IUPAC name	1-benzylpiperidine-4-carboxylic acid
canonical smiles	C1CN(CCC1C(=O)O)CC2=CC=CC=C2
inchi	InChI=1S/C13H17NO2/c15-13(16)12-6-8-14(9-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)
inchi key	ZMVSVQMWFTZSJQ-UHFFFAOYSA-N
molecular formula	C13H17NO2
synonyms	1-benzylpiperidine-4-carboxylic acid 10315-07-8 1-Benzyl-piperidine-4-carboxylic acid 1-BENZYL-4-PIPERIDINECARBOXYLIC ACID 4-PIPERIDINECARBOXYLIC ACID, 1-(PHENYLMETHYL)-

Computed Properties

Molecular Weight:	219.28 g/mol
XLogP3:	-0.5
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	219.125928785 g/mol
Monoisotopic Mass:	219.125928785 g/mol
Topological Polar Surface Area:	40.5 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	228
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

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (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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*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!

Product No: AY2653

1-Benzylpiperidine-4-carboxylic Acid, >98.0%

Product No: AY2653

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CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?