AG003Q04

400840-94-0 | Cyclopropanecarboxyl​ic acid, 1-​(aminomethyl)​-​, ethyl ester

AG003Q04

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CAS Number	400840-94-0
Catalog Number	AG003Q04(AGN-PC-009YFG)
Chemical Name	Cyclopropanecarboxyl​ic acid, 1-​(aminomethyl)​-​, ethyl ester
IUPAC Name	ethyl 1-(aminomethyl)cyclopropane-1-carboxylate
InChI	InChI=1S/C7H13NO2/c1-2-10-6(9)7(5-8)3-4-7/h2-5,8H2,1H3
InChI Key	AYTOKAZVIPSHHI-UHFFFAOYSA-N
MDL Number	MFCD00624477
Molecular Formula	C7H13NO2
Molecular Weight	143.1836
SMILES	C(=O)(OCC)C1(CN)CC1
Synonyms	400840-94-0, ETHYL 1-(AMINOMETHYL)CYCLOPROPANECARBOXYLATE, 1-(Aminomethyl)-cyclopropanecarboxylic acid ethyl ester, Ethyl 1-(aminomethyl)cyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 1-(aminomethyl)-, ethyl ester, ACMC-1AMA1, SCHEMBL1161503, CTK1D0103, DTXSID80467157, AYTOKAZVIPSHHI-UHFFFAOYSA-N, ALBB-014502, CS-M0855, KS-00000AH1, ANW-29280, MFCD06212652, ZINC21984804, AKOS005174864, AB23307, ACN-049207, AN-6703, TRA0075412, AC-14004, AJ-79253, AS-31227, BC207014, SY008706, Ethyl1-(Aminomethyl)cyclopropanecarboxylate, AB0055824, DB-069940, RT-018135, FT-0684184, V5752, Ethyl1-(aminomethyl)cyclopropane-1-carboxylate, K-8573, MFCD06212652 (95+%), 1-aminomethyl-cyclopropanecarboxylic acid ethyl ester, I14-17702, cyclopropanecarboxylic acid, 1-(aminomethyl)-, ethyl ester hydrochloride, C7H13NO2, CID11480505, 1-(AMINOMETHYL)-CYCLOPROPANECARBOXYLICACIDETHYLESTER, Ethyl 1-(Aminomethyl)cyclopropanecarboxylate Hydrochloride, Cyclopropanecarboxylic acid, 1-(aminomethyl)-, ethyl ester (9CI),

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	143.095g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	143.186g/mol
Monoisotopic Mass	143.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H226-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2735

Certificate of Analysis

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