AG003EZW

390427-07-3 | 2-(Boc-aminomethyl)phenol

AG003EZW

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CAS Number	390427-07-3
Catalog Number	AG003EZW(AGN-PC-0NHPHS)
Chemical Name	2-(Boc-aminomethyl)phenol
IUPAC Name	tert-butyl N-[(2-hydroxyphenyl)methyl]carbamate
InChI	InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)13-8-9-6-4-5-7-10(9)14/h4-7,14H,8H2,1-3H3,(H,13,15)
InChI Key	SAIZFIRMLDAPKH-UHFFFAOYSA-N
MDL Number	MFCD11655886
Molecular Formula	C12H17NO3
Molecular Weight	223.2683
SMILES	OC1=CC=CC=C1CNC(OC(C)(C)C)=O
Synonyms	2-(boc-aminomethyl)phenol, 390427-07-3, 2-(TERT-BUTOXYCARBONYLAMINOMETHYL)PHENOL, tert-butyl N-[(2-hydroxyphenyl)methyl]carbamate, Carbamic acid, (2-hydroxyphenyl)methyl-, 1,1-dimethylethyl ester, tert-butyl 2-hydroxybenzylcarbamate, AC1Q1NDS, SCHEMBL5792738, CTK1B4395, DTXSID20477058, 5265AJ, MFCD11655886, ZINC22053456, 2-(t-Butoxycarbonylaminomethyl)phenol, AKOS027256947, KS-000009E6, CS-11847, DA-06232, SC-00579, SY031532, RT-007252, FT-0663960, MFCD11655886 (95%), tert-Butyl [(2-hydroxyphenyl)methyl]carbamate, Z1496803437, [(2-Hydroxyphenyl)methyl]carbamic Acid 1,1-Dimethylethyl Ester, Carbamic acid, [(2-hydroxyphenyl)methyl]-, 1,1-dimethylethyl ester, 2- PHENOL, C12H17NO3,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.121g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	223.272g/mol
Monoisotopic Mass	223.121g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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