2-Amino-1-phenyl-1,3-propanediol

HCID 102971

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Basic information

CAS: 3306-06-7
Standard SMILES: NC(CO)C(O)c1ccccc1
InChIKey: JUCGVCVPNPBJIG-UHFFFAOYSA-N
Molecular formula: C9H13NO2
Average molar mass: 167.2 g/mol
Monoisotopic mass: 167.09462866

Names & identifiers

Preferred name: 2-Amino-1-phenyl-1,3-propanediol
IUPAC: 2-amino-1-phenylpropane-1,3-diol
English name: 1S,2S-(+)-2-amino-1-phenylpropane-1,3-diol
Molecular formula: C9H13NO2
Molecular weight: 167.20502

Names & synonyms

2-AMINO-1-PHENYL-1,3-PROPANEDIOLRefChem:463281691-991-42-amino-1-phenylpropane-1,3-diol55057-81-33306-06-7threo-(+/-)-2-Amino-1-phenyl-1,3-propanediol1S,2S-(+)-2-Amino-1-phenylpropane-1,3-diolSCHEMBL605463SCHEMBL7558321JUCGVCVPNPBJIG-UHFFFAOYSA-NDTXSID301368753

Show more names

Phe-val98.5%1,3-Propanediol, 2-amino-1-phenyl-2-azanyl-1-phenyl-propane-1,3-diol

EINECS 221-985-52-amino-1-phenyl-propane-1,3-diolAKOS009157655105452-39-9DB-017906DB-346665NS00088933(1R,2S)-2-Amino-1-phenyl-1,3-propanediol

Database identifiers

CAS: 3306-06-7、55057-81-3
PubChem CID: 102971
DTXSID: DTXSID301368753
EC Number: 221-985-5、611-225-4、691-991-4
Nikkaji: J262.406K

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 66.5 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 124

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P332+P313-P337+P313-P362+P364

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (11 of 11) of all reports.

Not Classified

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesNot Classified

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P332+P313-P337+P313-P362+P364

Chemistry & industry

Applications

Uses2-Amino-1-phenyl-1,3-propanediol is used in the synthetic preparation of aryl-substituted indazole derivatives as modulators and inhibitors of protein kinases in the treatment of tumor growth, cellular proliferation, and angiogenesis.