AG0014M9

1333114-86-5 | Carbamic acid, N-[[2-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester

AG0014M9

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CAS Number	1333114-86-5
Catalog Number	AG0014M9(AGN-PC-0IDOQD)
Chemical Name	Carbamic acid, N-[[2-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[[2-(hydroxymethyl)phenyl]methyl]carbamate
InChI	InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-8-10-6-4-5-7-11(10)9-15/h4-7,15H,8-9H2,1-3H3,(H,14,16)
InChI Key	DKGGBZVYBKJFBX-UHFFFAOYSA-N
MDL Number	MFCD22418063
Molecular Formula	C13H19NO3
Molecular Weight	237.2949
SMILES	O=C(OC(C)(C)C)NCC1=CC=CC=C1CO
Synonyms	2-(Boc-aminomethyl)benzyl Alcohol, 1333114-86-5, tert-Butyl 2-(hydroxymethyl)benzylcarbamate, SCHEMBL6874894, 2-(Boc-aminomethyl)benzylAlcohol, 5264AJ, MFCD22418063, ZINC95930436, ACN-051207, KS-0000092J, AK145264, CS-11655, DA-45945, SY027485, AJ-136341, CS-0061006, FT-0744033, MFCD22418063 (95+%), 2-Methyl-2-propanyl [2-(hydroxymethyl)benzyl]carbamate, tert-butyl N-[[2-(hydroxymethyl)phenyl]methyl]carbamate, Carbamic acid, N-[[2-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester, Carbamic acid,N-[[2-(hydroxymethyl)phenyl]methyl]-, 1,1-dimethylethyl ester, C13H19NO3,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.136g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	237.299g/mol
Monoisotopic Mass	237.136g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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