AG003BIM

28143-91-1 | (1S,2S)-(+)-2-Amino-1-phenyl-1,3-propanediol

AG003BIM

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CAS Number	28143-91-1
Catalog Number	AG003BIM(AGN-PC-0O8K44)
Chemical Name	(1S,2S)-(+)-2-Amino-1-phenyl-1,3-propanediol
EC Number	248-867-6
IUPAC Name	(1S,2S)-2-amino-1-phenylpropane-1,3-diol
InChI	InChI=1S/C9H13NO2/c10-8(6-11)9(12)7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-,9-/m0/s1
InChI Key	JUCGVCVPNPBJIG-IUCAKERBSA-N
MDL Number	MFCD00004503
Molecular Formula	C9H13NO2
Molecular Weight	167.2050
SMILES	O[C@@H](C1=CC=CC=C1)[C@@H](N)CO
Synonyms	(1S,2S)-(+)-2-Amino-1-phenyl-1,3-propanediol, 28143-91-1, (1s,2s)-2-amino-1-phenylpropane-1,3-diol, MFCD00004503, L-(+)-threo-2-Amino-1-phenyl-1,3-propanediol, (1S,2S)-2-amino-1-phenyl-1,3-propanediol, (1S,2S)-2-amino-1-phenyl-propane-1,3-diol, (1S, 2S)-(+)-2-Amino-1-phenyl-1,3-propanediol, 1,3-Propanediol, 2-amino-1-phenyl-, (1S,2S)-, (1S,2S)-(+)-2-Amino-1-phenyl-1,3-propanediol, 97%, EINECS 248-867-6, PubChem6415, AC1L3PO5, AC1Q4U8T, AC1Q4U8U, (S(R*,R*))-2-Amino-1-phenylpropane-1,3-diol, SCHEMBL145000, AC1Q59F2, Jsp005419, CTK3J8242, JUCGVCVPNPBJIG-IUCAKERBSA-N, ZINC394590, AN-114, ANW-59608, CA-054, AKOS015854215, CHM0015175, FCH3484548, RTC-063813, AC-10002, AC-19031, AJ-21388, AS-30546, BC200170, BP-20125, OR322214, SC-03095, (S,S)-2-Amino-1-phenyl-1,3-propanediol, AB0011583, AB1009499, AX8006971, DB-017906, L-threo-1-Phenyl-2-amino-1,3-propanediol, TC-063813, FT-0604563, ST24033633, (1S,2S)-1-phenyl-2-amino-1,3-propanediol, (2S,3S)-3-Phenylpropane-2-amine-1,3-diol, L-()-threo-2-Amino-1-phenyl-1,3-propanediol, (1S,2S)-2-azanyl-1-phenyl-propane-1,3-diol, L-threo-(+)-2-Amino-1-phenyl-1,3-propanediol, A819758, (1S,2S)-(+)-1-phenyl 2-amino-1,3-propane-diol, (1S,2S)-(+)-1-phenyl-2-amino-1,3-propane-diol, (1S,2S)-(+)-1-Phenyl-2-amino-1,3-propanediol, W-107071, (1s, 2s)-(+)-1-phenyl 2-amino-1,3-propane-diol, (1s, 2s)-(+)-1-phenyl-2-amino-1,3-propane-diol, C9H13NO2, KST-1A3498, C9-H13-N-O2, EINECS 256-250-8, AR-1A1513, CID119881, CB11133, CB11427, - -2-Amino-1-phenyl-1,3-propanediol, [S(R*,R*)]-2-amino-1-phenylpropane-1,3-diol, threo-(+/-)-2-Amino-1-phenyl-1,3-propanediol, (1R,2R)-(-)-2-Amino-1-phenyl-1,3-propanediol, 1,3-Propanediol, 2-amino-1-phenyl-, (S-(R*,R*))-, 29091-09-6, 55057-81-3, 46032-98-8,

Complexity	124
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	167.095g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	167.208g/mol
Monoisotopic Mass	167.095g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.5A^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
UN Code

Certificate of Analysis

Lot Number