AG001SO5

162046-50-6 | Carbamic acid, N-[(2-aminophenyl)methyl]-, 1,1-dimethylethyl ester

AG001SO5

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CAS Number	162046-50-6
Catalog Number	AG001SO5(AGN-PC-0LAMSL)
Chemical Name	Carbamic acid, N-[(2-aminophenyl)methyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[(2-aminophenyl)methyl]carbamate
InChI	InChI=1S/C12H18N2O2/c1-12(2,3)16-11(15)14-8-9-6-4-5-7-10(9)13/h4-7H,8,13H2,1-3H3,(H,14,15)
InChI Key	ZTBNOFSSMFDTHM-UHFFFAOYSA-N
MDL Number	MFCD04071350
Molecular Formula	C12H18N2O2
Molecular Weight	222.2835
SMILES	O=C(OC(C)(C)C)NCC1=CC=CC=C1N
Synonyms	162046-50-6, tert-butyl 2-aminobenzylcarbamate, (2-Amino-benzyl)-carbamic acid tert-butyl ester, (2-Aminobenzyl)carbamic acid tert-butyl ester, Tert-butyl N-[(2-aminophenyl)methyl]carbamate, tert-Butyl (2-aminobenzyl)carbamate, 2-(tert-butoxycarbonylaminomethyl)aniline, Carbamic acid, [(2-aminophenyl)methyl]-, 1,1-dimethylethyl ester, AC1N9ERE, SCHEMBL2061998, CTK4D1064, DTXSID20402961, ZTBNOFSSMFDTHM-UHFFFAOYSA-N, tert-Butyl(2-aminobenzyl)carbamate, KS-00000LC8, ZINC6238689, ANW-46883, MFCD04071350, 2-(t-Butoxycarbonylaminomethyl)aniline, AKOS005264722, AB17506, DS-1772, MCULE-7547595713, MP-1027, QC-1967, 2-(t-butyloxycarbonylaminomethyl)aniline, AJ-55983, AK-33548, CJ-12962, 2-(tert -butoxycarbonylaminomethyl)aniline, AB0022622, DB-005499, n-(-tert-butoxycarbonyl)-2-aminobenzylamine, ST2419914, TC-030060, 4CH-014135, FT-0080745, FT-0650939, ST51022729, W3526, 2-amino-benzyl-carbamic acid tert-butyl ester, (2-Amino-benzyl)-carbamic acid tert-butylester, (2-Aminobenzyl) carbamic acid tert-butyl ester, (2-amino-benzyl)-carbamic acid tert butyl ester, N-[(2-aminophenyl)methyl](tert-butoxy)carboxamide, (2-AMINO-BENZYL)CARBAMIc acid TERT-BUTYL ESTER, I14-33129, Carbamic acid, N-[(2-aminophenyl)methyl]-, 1,1-dimethylethyl ester, Carbamic acid,N-[(2-aminophenyl)methyl]-, 1,1-dimethylethyl ester, tert-Butyl2-aminobenzylcarbamate, C12H18N2O2, RW1442, CID4409487, 125142-07-6,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.137g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.288g/mol
Monoisotopic Mass	222.137g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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