AG00BE45

280771-97-3 | 4-Piperidinecarboxylicacid,1-(1-methylethyl)-(9CI)

AG00BE45

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CAS Number	280771-97-3
Catalog Number	AG00BE45(AGN-PC-0LU5BU)
Chemical Name	4-Piperidinecarboxylicacid,1-(1-methylethyl)-(9CI)
IUPAC Name	1-propan-2-ylpiperidine-4-carboxylic acid
InChI	InChI=1S/C9H17NO2/c1-7(2)10-5-3-8(4-6-10)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChI Key	QDOQCOOUTPQMKW-UHFFFAOYSA-N
MDL Number	MFCD07801133
Molecular Formula	C9H17NO2
Molecular Weight	171.2368
SMILES	O=C(C1CCN(C(C)C)CC1)O
Synonyms	1-Isopropylpiperidine-4-carboxylic acid, 280771-97-3, 1-Isopropyl-piperidine-4-carboxylic acid, 1-propan-2-ylpiperidine-4-carboxylic acid, 1-(propan-2-yl)piperidine-4-carboxylic acid, 4-Piperidinecarboxylic acid, 1-(1-methylethyl)-, 1-(methylethyl)piperidine-4-carboxylic acid, BAS 10150542, AC1O5HAJ, AC1Q1Q35, SCHEMBL1874567, CTK1A0652, DTXSID10424410, QDOQCOOUTPQMKW-UHFFFAOYSA-N, ALBB-027329, ZINC6677788, ANW-48790, MFCD07801133, SBB010523, AKOS000302229, MCULE-1014140672, RTR-012469, KS-0000100F, AJ-56622, BR-40816, SC-20480, 1-propan-2-yl-4-piperidinecarboxylic acid, AB0023940, ST2415374, TR-012469, 4CH-013757, BB 0220133, FT-0677909, ST50321177, W5101, EN300-35471, I80004, S-5101, 1-(1-methylethyl)-4-piperidine carboxylic acid, 4-Piperidinecarboxylicacid, 1-(1-methylethyl)-, 1-Isopropyl-4-piperidinecarboxylic acid AldrichCPR, A819318, 1-Isopropyl-4-piperidinecarboxylic acid, AldrichCPR, I04-3984, Q-103008, 4-Piperidinecarboxylicacid,1-(1-methylethyl)-(9CI), C9H17NO2, 4-Isopropylcyclohexanecarboxylic acid, CID6484187, 1-Isopropyl-piperidine-4-carboxylic acid 1HCl salt, 4-Piperidinecarboxylic acid, 1-(1-methylethyl)- (9CI),

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.126g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	171.24g/mol
Monoisotopic Mass	171.126g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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