AG000127

100134-82-5 | Carbamic acid, N-(1-cyano-1-methylethyl)-, phenylmethyl ester

AG000127

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CAS Number	100134-82-5
Catalog Number	AG000127(AGN-PC-01W2YK)
Chemical Name	Carbamic acid, N-(1-cyano-1-methylethyl)-, phenylmethyl ester
EC Number	600-032-0
IUPAC Name	benzyl N-(2-cyanopropan-2-yl)carbamate
InChI	InChI=1S/C12H14N2O2/c1-12(2,9-13)14-11(15)16-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,14,15)
InChI Key	DJQKBMUYZUEUBU-UHFFFAOYSA-N
MDL Number	MFCD10698635
Molecular Formula	C12H14N2O2
Molecular Weight	218.2518
SMILES	CC(C#N)(NC(OCC1=CC=CC=C1)=O)C
Synonyms	100134-82-5, Benzyl (1-cyano-1-methylethyl)carbamate, BENZYL (2-CYANOPROPAN-2-YL)CARBAMATE, benzyl N-(1-cyano-1-methylethyl)carbamate, Benzyl [1-cyano-1-methylethyl]carbamate, Benzyl 2-cyanopropan-2-ylcarbamate, benzyl N-(1-cyano-1-methyl-ethyl)carbamate, N-(1-cyano-1-methylethyl)-, phenylmethyl ester, (cyano-dimethyl-methyl)carbamic acid benzyl ester, Carbamic acid, (1-cyano-1-methylethyl)-, phenylmethyl ester, Carbamicacid, N-(1-cyano-1-methylethyl)-, phenylmethyl ester, ACMC-1BTWW, benzylcyanomethylethylcarbamate, AMBZ0388, SCHEMBL1150695, CTK3J8575, DTXSID80593804, DJQKBMUYZUEUBU-UHFFFAOYSA-N, Carbamic acid, N-(1-cyano-1-methylethyl)-, phenylmethyl ester, KS-000029RB, 0103AA, ANW-44753, MFCD10698635, ZINC21297164, Benzyl 1-cyano-1-methylethylcarbamate, AKOS015836095, AM85435, AN-3539, API0007640, Benzyl[1-cyano-1-methylethyl]carbamate, FCH1747574, MCULE-5736583338, NE-0200, PB34539, RP12628, RTR-000045, benzyl N-(2-cyanopropan-2-yl)carbamate, AJ-78090, AK-43465, AB1008487, AX8210954, DB-022605, TL8000036, TR-000045, FT-0662720, ST24030137, Q-1259, (phenylmethyl) N-(2-cyanopropan-2-yl)carbamate, 134B825, A800053, J-000052, J-519765, I14-26369, N-(2-cyanopropan-2-yl)carbamic acid (phenylmethyl) ester, null, C12H14N2O2, ACN-046775, Benzyl(1-cyano-1-methylethyl)carbamate,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.106g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.256g/mol
Monoisotopic Mass	218.106g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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