AG0021OI

180079-94-1 | Carbamic acid, N-[2-(3-aminophenyl)ethyl]-, 1,1-dimethylethyl ester

AG0021OI

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CAS Number	180079-94-1
Catalog Number	AG0021OI(AGN-PC-03UN5P)
Chemical Name	Carbamic acid, N-[2-(3-aminophenyl)ethyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[2-(3-aminophenyl)ethyl]carbamate
InChI	InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-8-7-10-5-4-6-11(14)9-10/h4-6,9H,7-8,14H2,1-3H3,(H,15,16)
InChI Key	LYUHXMSAHNAMFY-UHFFFAOYSA-N
MDL Number	MFCD05663960
Molecular Formula	C13H20N2O2
Molecular Weight	236.3101
SMILES	O=C(OC(C)(C)C)NCCC1=CC=CC(N)=C1
Synonyms	180079-94-1, tert-Butyl 3-aminophenethylcarbamate, 3-[2-(Boc-amino)ethyl]aniline, [2-(3-AMINO-PHENYL)-ETHYL]-CARBAMIC ACID TERT-BUTYL ESTER, tert-butyl N-[2-(3-aminophenyl)ethyl]carbamate, tert-butyl (3-aminophenethyl)carbamate, tert-butyl [2-(3-aminophenyl)ethyl]carbamate, Carbamic acid, [2-(3-aminophenyl)ethyl]-, 1,1-dimethylethyl ester, SCHEMBL1718277, CTK8H3239, DTXSID30627502, LYUHXMSAHNAMFY-UHFFFAOYSA-N, KS-000009ZD, ZINC2547906, 9445AA, MFCD05663960, AKOS015958812, AB22063, MCULE-2859401869, TRA0090344, AJ-39440, AS-46499, SY032722, tert-butyl (3-aminobenzyl)methylcarbamate, 4CH-022121, AK00739445, CS-0091179, FT-0080980, FT-0651006, ST24049802, tert-butyl[2-(3-aminophenyl)ethyl]carbamate, MFCD05663960 (97%), VU0549455-1, K-5510, J-011497, [(3-Aminophenyl)ethyl]carbamic acid tert-butyl ester, [2-(3-Aminophenyl)ethyl]carbamic acid tert-butyl ester, 2-(3-Amino-phenyl)-ethyl-carbamic acid tert-butyl ester, 2-Methyl-2-propanyl [2-(3-aminophenyl)ethyl]carbamate, 2-methylpropan-2-yl [2-(3-aminophenyl)ethyl]carbamate, F9995-1285, [2-(3-AMINOPHENYL)ETHYL]CARBAMIC ACID TERT-BUTYL ESTER,, [2-(3-Amino-phenyl)-ethyl]-carbamic acid tert-butyl ester, AldrichCPR, Carbamic acid, N-[2-(3-aminophenyl)ethyl]-, 1,1-dimethylethyl ester, C13H20N2O2, tert-Butyl3-aminophenethylcarbamate,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.152g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	236.315g/mol
Monoisotopic Mass	236.152g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	64.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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