phenylalaninol, (S)-

L-PHENYLALANINOL · (S)-(-)-2-AMINO-3-PHENYL-1-PROPANOL · H-PHENYLALANINOL · L(-)-2-AMINO-3-PHENYL-1-PROPANOL · H-PHE-OL · L-PHENYLALAINOL · (S)-PHENYLALANINOL · (S)-2-AMINO-3-PHENYL-1-PROPANOL

https://huagongshe.com/en/chemical/447213

phenylalaninol, (S)- molecular structure

Identifiers & Physical Properties

CAS No.	3182-95-4
Molecular formula	C9H13NO
Average molar mass	151.21 g/mol
Monoisotopic mass	151.09971404 g/mol
SMILES	N[C@H](CO)Cc1ccccc1
InChIKey	STVVMTBJNDTZBF-VIFPVBQESA-N
PubChem CID	447213
ChEMBL	CHEMBL1235287
ChEBI	CHEBI:45086
EC No.	221-674-4
DTXSID	DTXSID001025528

Chemical & Physical Properties

XLogP	0.7
Topological polar surface area	46.3
Hydrogen bond donors	2
Hydrogen bond acceptors	2
Rotatable bonds	3
Heavy atoms	11
Formal charge	0
Complexity	99.7
Drugs	Pharmaceuticals -> Listed in ZINC15
Collision Cross Section	128.33 Å² [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]
Melting point	92-94 °C(lit.)
alpha	-23 º (c=5,EtOH)
Boiling point	273.23°C (rough estimate)
Density	1.0406 (rough estimate)
Refractive index	-24.5 ° (C=5, EtOH)
Storage conditions	Keep in dark place,Inert atmosphere,Room temperature
Solubility	Soluble in chloroform, ethyl acetate, ethanol and methanol.
pKa (acidity coefficient)	12.85±0.10(Predicted)
Physical state	Crystalline Powder
Color	White to light yellow
optical activity	[α]22/D 22.8°, c = 1.2 in 1 M HCl
Sensitivity	Air Sensitive
BRN	2208238
InChI	1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
InChIKey	STVVMTBJNDTZBF-VIFPVBQESA-N
SMILES	N[C@H](CO)Cc1ccccc1
CAS DataBase Reference	3182-95-4(CAS DataBase Reference)
FDA UNII	9GE9QOP0ET
UNSPSC Code	12352116
NACRES	NA.22
GHS pictogram	GHS05
Signal word	Danger
GHS hazard statements	H314-H318
GHS precautionary statements	P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P303+P361+P353-P280-P305+P351+P338-P310
Personal protective equipment (PPE)	Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Hazard symbols	C
Risk statements (R)	34
Safety statements (S)	26-36/37/39-45-24/25-27
UN transport number	UN 3259 8/PG 3
Water hazard class (WGK)	3
RTECS number	UA6900000
F	10-23
Hazard class	8
Packing group	Ⅲ
Customs code	29221980
Storage class	8A - Combustible corrosive hazardous materials
Limited quantities	5.0 kg (11 lbs) (solid)
Excepted quantities	Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & Regulations

GHS classification	DangerH314 (97.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory.
Regulatory information	Benzenepropanol, .beta.-amino-, (.beta.S)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Corr. 1B (97.9%)
F	10-23
Personal protective equipment (PPE)	Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Water hazard class (WGK)	3
RTECS number	UA6900000
UN transport number	UN 3259 8/PG 3
Customs code	29221980
Risk statements (R)	34
Signal word	Danger
GHS pictogram	GHS05
Hazard symbols	C
Safety statements (S)	26-36/37/39-45-24/25-27
Hazard class	8
Storage class	8A - Combustible corrosive hazardous materials
Packing group	Ⅲ
GHS hazard statements	H314-H318
Limited quantities	5.0 kg (11 lbs) (solid)
Excepted quantities	Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Applications & Uses

Uses

Enantiomer of L-Phenylalaninol, an inhibitor of intestinal Phenylalanine absorption.

Uses

Inhibits the intestinal absorption of Phenylalanine, making it a prospective treatment for phenylketonuria.

Uses

antiulcer

General Description

(S)-(-)-2-Amino-3-phenyl-1-propanol is a chiral amino alcohol.