AG009BIZ

129042-71-3 | 3-Amino-3-Cyclohexylpropionic Acid

AG009BIZ

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CAS Number	129042-71-3
Catalog Number	AG009BIZ(AGN-PC-0PIWZE)
Chemical Name	3-Amino-3-Cyclohexylpropionic Acid
IUPAC Name	3-amino-3-cyclohexylpropanoic acid
InChI	InChI=1S/C9H17NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)
InChI Key	XGRSAFKZAGGXJV-UHFFFAOYSA-N
MDL Number	MFCD01863250
Molecular Formula	C9H17NO2
Molecular Weight	171.2368
SMILES	O=C(O)CC(N)C1CCCCC1
Synonyms	3-amino-3-cyclohexylpropanoic acid, 129042-71-3, 3-Amino-3-cyclohexylpropionic acid, 3-Amino-3-cyclohexyl-propionic acid, beta-Aminocyclohexanepropanoic acid, (r)-b-amino-cyclohexanepropanoic acid, Bionet2_001076, 91383-15-2, cyclohexanepropanoic acid, beta-amino-, AC1MBZG0, 3-cyclohexyl-beta-alanine, aminocyclohexylpropanoicacid, MLS000736376, SCHEMBL1255799, CHEMBL1300268, XGRSAFKZAGGXJV-UHFFFAOYSA-N, AA021, HMS1367A20, HMS2634B04, 3-cyclohexyl-3-aminopropionic acid, KS-00001AX4, 5467AA, MFCD01863250, SBB088526, AKOS005071168, AB10336, MCULE-3734527997, RP10521, AM803140, SC-26308, SMR000338326, 3 - Amino - 3 - cyclohexylpropanoic acid, DB-022214, TR-038377, CS-0046990, FT-0643102, ST50307767, T6343, 3-amino-3-cyclohexylpropionic acid, AldrichCPR, A67190, 7T-0112, I01-4296, I04-0558, I04-0564, I04-5543, J-511588, I14-18015, I14-90691, C9H17NO2, (S)-3-Amino-3-cyclohexylpropanoic acid, ACN-001785, CID2733681, 91383-14-1,

Complexity	153
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	2
Isotope Atom Count	0
Molecular Weight	171.24g/mol
Monoisotopic Mass	171.126g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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