AG005FCL

718611-17-7 | (S)-Boc-3-Amino-3-phenylpropan-1-ol

AG005FCL

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CAS Number	718611-17-7
Catalog Number	AG005FCL(AGN-PC-0TZGOU)
Chemical Name	(S)-Boc-3-Amino-3-phenylpropan-1-ol
IUPAC Name	tert-butyl N-[(1S)-3-hydroxy-1-phenylpropyl]carbamate
InChI	InChI=1S/C14H21NO3/c1-14(2,3)18-13(17)15-12(9-10-16)11-7-5-4-6-8-11/h4-8,12,16H,9-10H2,1-3H3,(H,15,17)/t12-/m0/s1
InChI Key	SMEMODSNLZWKBF-LBPRGKRZSA-N
MDL Number	MFCD09025325
Molecular Formula	C14H21NO3
Molecular Weight	251.3214
SMILES	OCC[C@H](NC(OC(C)(C)C)=O)C1=CC=CC=C1
Synonyms	718611-17-7, (S)-Boc-3-Amino-3-phenylpropan-1-ol, (S)-N-BOC-3-AMINO-3-PHENYL-PROPAN-1-OL, (S)-N-Boc-3-amino-3-phenylpropan-1-ol, tert-butyl N-[(1S)-3-hydroxy-1-phenylpropyl]carbamate, (S)-N-Boc-3-amino-3-phenyl-1-propanol, (S)-TERT-BUTYL (3-HYDROXY-1-PHENYLPROPYL)CARBAMATE, AK-45159, AC1OGPIX, PubChem16120, SCHEMBL56698, Boc-(S)-beta-Phenylalaninol, KSC498C9T, CTK3J8199, KS-00000LQC, DTXSID00428285, ACT03120, ZINC4290913, MFCD09025325, AKOS015836449, CB-3113, RTR-023572, AC-23777, AJ-50360, AN-27483, BR-45159, CJ-11903, DS-13488, AB0066474, AX8049231, ST2414657, TR-023572, A9387, FT-0682398, S-5820, (S)-tert-butyl 3-hydroxy-1-phenylpropylcarbamate, 611B177, I05-1012, tert-butyl (S)-(3-hydroxy-1-phenylpropyl)carbamate, (S)-3-(tert-Butoxycarbonylamino)-3-phenyl-1-propanol, tert-Butyl [(1S)-3-hydroxy-1-phenylpropyl]carbamate, tert-butyl N-[(1S)-3-hydroxy-1-phenyl-propyl]carbamate, (S)-(3-HYDROXY-1-PHENYL-PROPYL)-CARBAMIC ACID TERT-BUTYL ESTER, Boc-S-3-amino-3-phenylpropan-1-ol, ZINC02527650, CB11198, CB11943, CID7172194, Boc-(S)-3-amino-3-phenylpropan-1-ol,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	251.152g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	251.326g/mol
Monoisotopic Mass	251.152g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	58.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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