AG0004JC

1014645-87-4 | Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, HCl (1:1)

AG0004JC

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CAS Number	1014645-87-4
Catalog Number	AG0004JC(AGN-PC-0WAMQ8)
Chemical Name	Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, HCl (1:1)
IUPAC Name	methyl 4-(1-aminocyclopropyl)benzoate;hydrochloride
InChI	InChI=1S/C11H13NO2.ClH/c1-14-10(13)8-2-4-9(5-3-8)11(12)6-7-11;/h2-5H,6-7,12H2,1H3;1H
InChI Key	SZUAJCIGBDCCPA-UHFFFAOYSA-N
MDL Number	MFCD11616336
Molecular Formula	C11H14ClNO2
Molecular Weight	227.6874
SMILES	Cl.NC1(CC1)c1ccc(cc1)C(=O)OC
Synonyms	Methyl 4-(1-aminocyclopropyl)benzoate hydrochloride, 1014645-87-4, Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, hydrochloride (1:1), AK-41753, METHYL 4-(1-AMINOCYCLOPROPYL)BENZATE HCL, 4-(1-Amino-cyclopropyl)-benzoic acid methyl ester hydrochloride, SCHEMBL871688, CTK8C4563, KS-00000OCH, SZUAJCIGBDCCPA-UHFFFAOYSA-N, BCP14606, 0391AA, ANW-72354, MFCD11616336, ACN-037352, AM83229, NE63349, DS-13980, AX8208485, AX8239371, TC-161099, X-1695, methyl 4-(1-aminocyclopropyl)benzoate;hydrochloride, 4-(1-AMINO-CYCLOPROPYL)-BENZOICACIDMETHYLESTER, 1-[4-(methoxycarbonyl)phenyl]cyclopropanaminium chloride, 4-(1-Aminocyclopropyl)benzoic acid methyl ester hydrochloride, Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, HCl (1:1), 4-(1-Amino-cyclopropyl)-benzoic acid methyl ester hydrochloride, AldrichCPR, C11H14ClNO2, Methyl 4-(1-aminocyclopropyl)benzoate, 1006037-03-1, Benzoic acid, 4-(1-aminocyclopropyl)-, methyl ester, (Hydrochloride) (1:1),

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.071g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	227.688g/mol
Monoisotopic Mass	227.071g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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