AG00G3KG

75898-47-4 | H-DL-Phe-OtBu HCl

AG00G3KG

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CAS Number	75898-47-4
Catalog Number	AG00G3KG(AGN-PC-0WAMNA)
Chemical Name	H-DL-Phe-OtBu HCl
EC Number	239-151-4
IUPAC Name	tert-butyl 2-amino-3-phenylpropanoate;hydrochloride
InChI	InChI=1S/C13H19NO2.ClH/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H
InChI Key	FDMCEXDXULPJPG-UHFFFAOYSA-N
MDL Number	MFCD00190980
Molecular Formula	C13H20ClNO2
Molecular Weight	257.7564
NSC Number	96688
SMILES	O=C(OC(C)(C)C)C(N)CC1=CC=CC=C1.[H]Cl
Synonyms	H-DL-Phe-OtBu.HCl, 75898-47-4, L-Phenylalanine tert-butyl ester hydrochloride, EINECS 239-151-4, tert-butyl 2-amino-3-phenylpropanoate hydrochloride, AK112027, tert-Butyl 3-phenyl-L-alaninate hydrochloride, tert-butyl 2-azanyl-3-phenyl-propanoate hydrochloride, 2-amino-3-phenylpropanoic acid tert-butyl ester hydrochloride, h-d-phe.otbu.hcl, H-DL-Phe-OtBu-HCl, ACMC-209tvf, H-DL-PHE-OTBU HCL, AC1MJ24R, SCHEMBL237073, CTK7D4177, FDMCEXDXULPJPG-UHFFFAOYSA-N, KS-00000GD2, NSC96688, MFCD00190980, NSC-96688, tert-Butyl 3-phenyl-L-alaninate HCl, AKOS015961788, AC-1965, DS-5410, MCULE-8845110186, TRA0039554, VA50480, VA50688, (S)-3-Phenylalanine t-butyl ester HCl, AK-41433, AK-49100, AN-14437, BC208489, N780, SY030365, AM20040215, MFCD00153455 (98%), B-7309, DL-Phenylalanine tert-butyl ester hydrochloride, A809106, A822047, DL-PHENYLALANINE T-BUTYLESTER HYDROCHLORIDE, DL-PHENYLALANINE T-BUTYL ESTER HYDROCHLORIDE, I01-3208, tert-butyl 2-amino-3-phenyl-propanoate hydrochloride, DL-Phenylalanine t-butyl ester hydrochloride, AldrichCPR, D-Phenylalanine,1,1-dimethylethyl ester, hydrochloride (1:1), H-Phe-OtBu.HCl, H-D-Phe-OtBu.HCl, H-PHE-OTBU HCL, 15100-75-1, L-PHENYLALANINE t-BUTYL ESTER, 3-bromo-1,1,1-trifluorobutan-2-one, CID3084217, D-Phenylalanine tert-butyl ester hydrochloride, 3403-25-6, (S)-tert-Butyl2-amino-3-phenylpropanoatehydrochloride, 382-01-4,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.118g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	257.758g/mol
Monoisotopic Mass	257.118g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

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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