AG000E3X

1173206-71-7 | tert-Butyl 3-(aminomethyl)azetidine-1-carboxylate hydrochloride

AG000E3X

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CAS Number	1173206-71-7
Catalog Number	AG000E3X(AGN-PC-07A7B4)
Chemical Name	tert-Butyl 3-(aminomethyl)azetidine-1-carboxylate hydrochloride
IUPAC Name	tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
InChI	InChI=1S/C9H18N2O2.ClH/c1-9(2,3)13-8(12)11-5-7(4-10)6-11;/h7H,4-6,10H2,1-3H3;1H
InChI Key	XJTMMJUCRQWXCE-UHFFFAOYSA-N
MDL Number	MFCD11101335
Molecular Formula	C9H19ClN2O2
Molecular Weight	222.7124
SMILES	Cl.CC(C)(C)OC(=O)N1CC(CN)C1
Synonyms	1173206-71-7, tert-Butyl 3-(aminomethyl)azetidine-1-carboxylate hydrochloride, 1-N-BOC-3-AMINOMETHYL AZETIDINE-HCl, AK-59474, 1-N-BOC-3-AMINOMETHYL AZETIDINE HCl, SCHEMBL2527213, CTK8B7403, DTXSID10662451, XJTMMJUCRQWXCE-UHFFFAOYSA-N, KS-00000P2J, ANW-57203, MFCD11101335, AKOS005259255, CS-W006709, DS-16304, AB0000967, AX8217196, TC-065783, 4CH-010826, ST24025880, X9201, B-1840, 1-N-BOC-3-AMINOMETHYL AZETIDINE hydrochloride, 3-aminomethyl-azetidine-1-carboxylic acid tert-butyl ester-hcl, tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride, tert-Butyl 3-(aminomethyl)azetidine-1-carboxylatehydrochloride, 3-aminomethyl-azetidine-1-carboxylic acid tert-butyl ester HCl salt, tert-Butyl 3-(aminomethyl)azetidine-1-carboxylate--hydrogen chloride (1/1), 1-Azetidinecarboxylic acid, 3-(aminomethyl)-, 1,1-dimethylethyl ester, hydrochloride (1:1), C9H19ClN2O2, 1-N-BOC-3-AMINOmethylaZETIDINE hydrochloride, tert-Butyl3-(aminomethyl)azetidine-1-carboxylatehydrochloride,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.114g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.713g/mol
Monoisotopic Mass	222.114g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.6A^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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