AG001I2B

142253-58-5 | 1-Azetidinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester

AG001I2B

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CAS Number	142253-58-5
Catalog Number	AG001I2B(AGN-PC-09O5F5)
Chemical Name	1-Azetidinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3-(cyanomethyl)azetidine-1-carboxylate
InChI	InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h8H,4,6-7H2,1-3H3
InChI Key	QRZNHJHKTCPFAO-UHFFFAOYSA-N
MDL Number	MFCD11035913
Molecular Formula	C10H16N2O2
Molecular Weight	196.2462
SMILES	O=C(N1CC(CC#N)C1)OC(C)(C)C
Synonyms	142253-58-5, 1-Boc-3-(cyanomethyl)azetidine, tert-butyl 3-(cyanomethyl)azetidine-1-carboxylate, 1-Azetidinecarboxylicacid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester, ACMC-1BXRG, SCHEMBL9696880, CTK4C3010, DTXSID40692847, QRZNHJHKTCPFAO-UHFFFAOYSA-N, 1-N-Boc-3-(cyanomethyl)azetidine, 6946AA, ANW-72445, MFCD11035913, ZINC66340266, AKOS005258617, CB-3607, AK-39034, AS-44788, SC-24185, AB0086090, AB1006421, AJ-116283, TC-161190, FT-0741561, A26667, B-1661, I14-11261, 1-Azetidinecarboxylic acid,3-(cyanomethyl)-,1,1-Dimethylethyl ester, 1-Azetidinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester, 1-Boc-3- azetidine, C10H16N2O2,

Complexity	266
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.121g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.25g/mol
Monoisotopic Mass	196.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	53.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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