AG000DMK

117049-14-6 | Carbamic acid, N-[(1S)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester

AG000DMK

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CAS Number	117049-14-6
Catalog Number	AG000DMK(AGN-PC-0NZ68F)
Chemical Name	Carbamic acid, N-[(1S)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate
InChI	InChI=1S/C13H19NO3/c1-13(2,3)17-12(16)14-11(9-15)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,14,16)/t11-/m1/s1
InChI Key	IBDIOGYTZBKRGI-LLVKDONJSA-N
MDL Number	MFCD00274206
Molecular Formula	C13H19NO3
Molecular Weight	237.2949
SMILES	O=C(OC(C)(C)C)N[C@@H](C1=CC=CC=C1)CO
Synonyms	S 1886, S-1886, 117049-14-6, (S)-tert-Butyl (2-hydroxy-1-phenylethyl)carbamate, BOC-L-Phenylglycinol, (S)-(+)-2-(Boc-amino)-2-phenylethanol, N-Boc-L-alpha-phenylglycinol, (S)-N-(TERT-BUTOXYCARBONYL)-2-PHENYLGLYCINOL, (S)-2-(tert-Butoxycarbonylamino)-2-phenylethanol, BOC-PHG-OL, N-Boc-L-2-phenylglycinol, MFCD00274206, tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate, Carbamic acid, [(1S)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester, N-Boc- L -2-phenylglycinol, Boc-L-Phg-ol, (R)-(-)-2-(Boc-amino)-2-phenylethanol, PubChem22950, N-t-BOC-L-Phenylglycinol, AC1Q1MU9, (S)-tert-butyl 2-hydroxy-1-phenylethylcarbamate, (2-Hydroxy-1-phenyl-ethyl)-carbamic acid tert-butyl ester, KSC496O7B, tert-Butyl [(1S)-2-hydroxy-1-phenylethyl]carbamate, SCHEMBL2481921, Jsp001180, CTK3J6770, DTXSID60426848, (+)-N-Boc-L-|A-phenylglycinol, IBDIOGYTZBKRGI-LLVKDONJSA-N, ACN-S003574, ACT04148, ZINC2564780, ANW-43781, FC1216, (S)-2-(Boc-amino)-2-phenylethanol, AKOS005259771, AKOS015889708, Carbamic acid, N-[(1S)-2-hydroxy-1-phenylethyl]-, 1,1-dimethylethyl ester, AC-5648, CS-W002600, RTR-003061, KS-0000097G, KS-0000097M, AJ-41059, AS-14825, BR-44303, CJ-09686, M738, SC-22565, (+)-N-Boc-L-alpha-phenylglycinol, 99%, AB0004804, DB-005567, N-(tert-Butoxycarbonyl)-L-2-phenylglycinol, ST2408367, TR-003061, B3272, FT-0642861, N-(tert-Butoxycarbonyl)-2(S)-phenylglycinol, ST50825863, S-1886, 049B146, Tert-butyl (1S)-2-hydroxy-1-phenylethylcarbamate, Q-101620, tert-butyl (S)-(2-hydroxy-1-phenylethyl)carbamate, N-((1S)-2-hydroxy-1-phenylethyl)(tert-butoxy)carboxamide, ((S)-2-HYDROXY-1-PHENYL-ETHYL)-CARBAMIC ACID TERT-, ((S)-2-HYDROXY-1-PHENYL-ETHYL)-CARBAMIC ACID TERT-BUTYL ESTER, BOC-D-Phenylglycinol, C13H19NO3, RW1303, ZINC02526759, ACN-033952, Boc-L-phenylglycinol, 98% - 1G 1g, CID7016462, (R)-N-(tert-Butoxycarbonyl)-2-phenylglycinol, 102089-74-7, 67341-01-9,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	1.8

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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