AG000BQ7

116140-22-8 | 3-Piperidinecarboxylic acid, 3-methyl-, hydrochloride (1:1)

AG000BQ7

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CAS Number	116140-22-8
Catalog Number	AG000BQ7(AGN-PC-0AA0K2)
Chemical Name	3-Piperidinecarboxylic acid, 3-methyl-, hydrochloride (1:1)
IUPAC Name	3-methylpiperidine-3-carboxylic acid;hydrochloride
InChI	InChI=1S/C7H13NO2.ClH/c1-7(6(9)10)3-2-4-8-5-7;/h8H,2-5H2,1H3,(H,9,10);1H
InChI Key	KSMYDSAXTLQXCI-UHFFFAOYSA-N
MDL Number	MFCD20441739
Molecular Formula	C7H14ClNO2
Molecular Weight	179.6446
SMILES	O=C(C1(C)CNCCC1)O.[H]Cl
Synonyms	3-methylpiperidine-3-carboxylic acid hydrochloride, 116140-22-8, 3-METHYLPIPERIDINE-3-CARBOXYLIC ACID HCL, 3-Methyl-3-piperidinecarboxylic acid hydrochloride, SCHEMBL6995127, KS-000006PH, MFCD20441739, AKOS025290746, MCULE-1830247756, NE33347, SB19965, AS-34339, CS-0051239, EN300-91439, 3-methylpiperidine-3-carboxylic acid;hydrochloride, Z1262691675, 3-Methyl-3-piperidinecarboxylic acid hydrochloride, AldrichCPR, 3-Piperidinecarboxylic acid, 3-methyl-, hydrochloride (1:1), 116140-49-9,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.071g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	179.644g/mol
Monoisotopic Mass	179.071g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312+P330-P501
UN Code

Certificate of Analysis

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