AG001IV2

144072-29-7 | Carbamic acid, N-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester

AG001IV2

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CAS Number	144072-29-7
Catalog Number	AG001IV2(AGN-PC-0N171K)
Chemical Name	Carbamic acid, N-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[4-(hydroxymethyl)phenyl]carbamate
InChI	InChI=1S/C12H17NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h4-7,14H,8H2,1-3H3,(H,13,15)
InChI Key	YQKDTZYYROHLMB-UHFFFAOYSA-N
MDL Number	MFCD04974271
Molecular Formula	C12H17NO3
Molecular Weight	223.2683
SMILES	OCC1=CC=C(C=C1)NC(OC(C)(C)C)=O
Synonyms	144072-29-7, tert-Butyl (4-(hydroxymethyl)phenyl)carbamate, 4-(Boc-amino)benzyl Alcohol, BOC-4-AMINOBENZYLALCOHOL, tert-Butyl 4-(hydroxymethyl)phenylcarbamate, Tert-butyl N-[4-(hydroxymethyl)phenyl]carbamate, 4-(tert-Butoxycarbonylamino)benzyl alcohol, (4-Hydroxymethylphenyl)carbamic acid tert-butyl ester, Carbamic acid, [4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester, tert-butyl N-(4-(hydroxymethyl)phenyl)carbamate, tert-butyl4-(hydroxymethyl)phenylcarbamate, SCHEMBL245094, YQKDTZYYROHLMB-UHFFFAOYSA-N, ZINC2541563, 7089AA, ANW-63358, MFCD04974271, AKOS014122289, QC-5235, TRA0091723, AJ-39197, AK-84513, DS-17444, SC-24597, SY021983, AB0096082, TC-152103, 4CH-004257, CS-0032275, ST24049522, TL80090729, MFCD04974271 (95+%), (4-hydroxymethylphenyl)carbamic acid t-butyl ester, I14-40904, (4-hydroxymethyl-phenyl)-carbamic acid tert-butyl ester, N-[4-(Hydroxymethyl)phenyl]carbamic acid tert-butyl ester, Carbamic acid, N-[4-(hydroxymethyl)phenyl]-, 1,1-dimethylethyl ester, C12H17NO3, CID10242688, K-4619, 101930-07-8,

Complexity	227
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	1.6

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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