AG00G2P0

82372-74-5 | L-4-TERT-BUTYL-PHE

AG00G2P0

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CAS Number	82372-74-5
Catalog Number	AG00G2P0(AGN-PC-0OIOL1)
Chemical Name	L-4-TERT-BUTYL-PHE
IUPAC Name	(2S)-2-amino-3-(4-tert-butylphenyl)propanoic acid
InChI	InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m0/s1
InChI Key	CSJZKSXYLTYFPU-NSHDSACASA-N
MDL Number	MFCD02259528
Molecular Formula	C13H19NO2
Molecular Weight	221.2955
SMILES	O=C(O)[C@@H](N)CC1=CC=C(C(C)(C)C)C=C1
UNII	10YZ0R5GQ0
Synonyms	82372-74-5, L-4-TERT-BUTYL-PHE, 4-tert-Butyl-L-phenylalanine, H-PHE(4-TBU)-OH, (S)-2-Amino-3-(4-(tert-butyl)phenyl)propanoic acid, L-4-tert-butyl-phenylalanine, L-4-TBU-PHE-OH, (2S)-2-amino-3-(4-tert-butylphenyl)propanoic acid, UNII-10YZ0R5GQ0, 10YZ0R5GQ0, 4-(1,1-dimethylethyl)-L-phenylalanine, (2S)-2-amino-3-(4-tert-butylphenyl)propionic acid, (2S)-2-azanyl-3-(4-tert-butylphenyl)propanoic acid, AK117430, L-(4-tBu)Phe-OH, L-Phenylalanine, 4-(1,1-dimethylethyl)-, p-tert-Butylphenylalanine, AC1MC5RJ, 4-t-butyl-l-phenylalanine, SCHEMBL383814, KS-00000KRC, DTXSID60375923, ZINC2392305, ZX-AT014756, KM2114, MFCD02259528, AKOS012010563, AB11722, AL389-1, AM82723, CB-1300, OR14740, AC-25343, AJ-35827, AS-20122, AX8035013, ST24035965, Z5978, 372B745, UNII-V7SND02UUK component CSJZKSXYLTYFPU-NSHDSACASA-N, D-4-tert-Butyl-phenylalanine, C13H19NO2, ACN-026112, CID2761795, 2-amino-3-(4-tert-butylphenyl)propanoic Acid, (S)-2-Amino-3-(4-(tert-butyl)phenyl)propanoicacid, 274262-82-7,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	221.142g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.3g/mol
Monoisotopic Mass	221.142g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number