AG003F4L

58632-95-4 | N-((tert-Butoxycarbonyl)oxy)benzimidoyl cyanide

AG003F4L

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CAS Number	58632-95-4
Catalog Number	AG003F4L(AGN-PC-0JM0DZ)
Chemical Name	N-((tert-Butoxycarbonyl)oxy)benzimidoyl cyanide
EC Number	261-370-9
IUPAC Name	tert-butyl [(E)-[cyano(phenyl)methylidene]amino] carbonate
InChI	InChI=1S/C13H14N2O3/c1-13(2,3)17-12(16)18-15-11(9-14)10-7-5-4-6-8-10/h4-8H,1-3H3/b15-11-
InChI Key	QQWYQAQQADNEIC-PTNGSMBKSA-N
MDL Number	MFCD00001863
Molecular Formula	C13H15N2O3
Molecular Weight	247.2698
SMILES	N#C/C(C1=CC=CC=C1)=[N](C(OC(C)(C)C)=O)O
Synonyms	58632-95-4, 2-(tert-Butoxycarbonyloxyimino)-2-phenylacetonitrile, Boc-on, 2-(Boc-oxyimino)-2-phenylacetonitrile, CCRIS 2601, tert-Butyl alpha-cyanobenzylaminyl carbonate, EINECS 261-370-9, 2-(tert-Butoxycarbonyloximino)-2-phenylacetonitrile, 2-Boc-oxyimino-2-phenylacetonitrile, Carbonic acid, (cyanophenylmethylene)azanyl 1,1-dimethylethyl ester, Benzeneacetonitrile, alpha-((((1,1-dimethylethoxy)carbonyl)oxy)imino)-, UNII-F039SLP7BB, W-105376, BOC-ON, 99%, tert-butyl [(E)-[cyano(phenyl)methylidene]amino] carbonate, N-((tert-Butoxycarbonyl)oxy)benzimidoyl cyanide, F039SLP7BB, Benzeneacetonitrile, .alpha.-[[[(1,1-dimethylethoxy)carbonyl]oxy]imino]-, AC1NYWSM, BOC-ON (N-tert-Butoxycarbonyloxyimino-2- phenylacetonitrile), SCHEMBL209658, QQWYQAQQADNEIC-PTNGSMBKSA-N, ACN-S003987, ACT00409, BCP12953, ZINC1574048, AKOS015900579, AM83875, RP28742, AS-11753, BR-40034, CJ-24770, SC-13694, AB0010677, AX8014709, LS-188663, ST50308346, M-5421, 2-(t-Butoxycarbonyloximino)-2-phenylacetonitrile, (Z)-N-(tert-butoxycarbonyloxy)benzimidoyl cyanide, A831956, (1E)-2-cyano-2-phenyl-1-azavinyl (tert-butoxy)formate, F0001-1534, ([(tert-Butoxycarbonyl)oxy]imino)(cyano)methyl]benzene #, carbonic acid tert-butyl [(E)-[cyano(phenyl)methylidene]amino] ester, Boc-ON, 98% 5g, C13H14N2O3, MFCD00001863, C13-H14-N2-O3, CID5868400, AK-40034, 2-(t-Butoxycarbonyloxyimino)-2-phenylacetonitrile, Carbonic acid (cyanophenylmethylene)azanyl 1,1-dimethylethyl ester, 2-tert-Butoxycarbonyloxyimino-2-phenylacetonitrile, 99% - 100G 100g, 2-(Boc-oxyimino)-2-phenylacetonitrile; 2-(tert-Butoxycarbonyloxyimino)-2-phenyl-acetonitrile; 2-t-Butyloxycarbonyloxyimino-2-phenyl acetonitrile,

Complexity	367
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	246.1g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.266g/mol
Monoisotopic Mass	246.1g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	71.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

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