AG003SFE

3422-01-3 | N-(tert-Butoxycarbonyl)aniline

AG003SFE

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CAS Number	3422-01-3
Catalog Number	AG003SFE(AGN-PC-0JMPSD)
Chemical Name	N-(tert-Butoxycarbonyl)aniline
IUPAC Name	tert-butyl N-phenylcarbamate
InChI	InChI=1S/C11H15NO2/c1-11(2,3)14-10(13)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,13)
InChI Key	KZZHPWMVEVZEFG-UHFFFAOYSA-N
MDL Number	MFCD00043723
Molecular Formula	C11H15NO2
Molecular Weight	193.2423
SMILES	O=C(OC(C)(C)C)NC1=CC=CC=C1
Synonyms	N-Boc-aniline, tert-Butyl Phenylcarbamate, 3422-01-3, tert-Butyl N-Phenylcarbamate, t-Butyl carbanilate, N-BOC ANILINE, Carbanilic acid, tert-butyl ester, N-(TERT-BUTOXYCARBONYL)ANILINE, tert-Butyl N-Phenylurethane, CARBANILIC ACID TERT-BUTYL ESTER, KZZHPWMVEVZEFG-UHFFFAOYSA-N, Carbamic acid, phenyl-, 1,1-dimethylethyl ester, MFCD00043723, 6-Methylindole, 99%, (tert-butoxy)-N-benzamide, tert-Butyl Carbanilate, boc aniline, PubChem20026, N-Boc-aniline, 97%, AC1L3BOS, AC1Q1NAD, tert-Butyl Phenylurethane, ChemDiv3_000105, ACMC-2097df, N-tert-butoxycarbonylaniline, Cambridge id 5103646, n-(t-butoxycarbonyl)aniline, tert-Butyl-N-phenylcarbamate, CBDivE_002161, N-Phenyl-O-tert-butylurethane, SCHEMBL775002, CTK4H1932, DTXSID20187802, HMS1473E17, ZINC225818, ANW-13825, phenyl-carbamic acid tert-butyl ester, SBB008371, STK391233, AKOS001287911, AB01955, FR-1303, MCULE-2780284323, RL03265, Carbamic acid, phenyl, tert-butyl ester, IDI1_019423, NCGC00180360-01, AS-44918, SC-50454, DB-080877, TR-014205, FT-0664000, ST50828054, V5305, EN300-24379, K-0050, Carbamic acid,N-phenyl-,1,1-dimethylethyl ester, N-Phenyl-carbamic Acid 1,1-Dimethylethyl Ester, SR-01000389248, J-019506, J-524810, SR-01000389248-1, BRD-K58402180-001-01-4, C11H15NO2, CID137930, ACN-041624, Carbamic acid, phenyl-, 1,1-dimethylethyl ester (9CI),

Complexity	190
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.11g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	193.246g/mol
Monoisotopic Mass	193.11g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

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