L-Alaninol (HCID 80307)

Overview

(S)-2-aminopropan-1-ol is a 2-aminopropan-1-ol that has S-configuration. It is a conjugate base of a (S)-2-aminopropan-1-ol(1+). It is an enantiomer of a (R)-2-aminopropan-1-ol.

Names & identifiers

Preferred name: L-Alaninol
IUPAC: (2S)-2-aminopropan-1-ol
English name: L-Alaninol
Molecular formula: C3H9NO
Molecular weight: 75.11

Names & synonyms

L-Alaninol2749-11-3(S)-2-Aminopropan-1-ol1-Propanol, 2-amino-, (2S)-2-Aminopropanol, (+)-S-(+)-ALANINOLV403GH89L1L-2-AMINOPROPANOLUNII-V403GH89L1L-2-AMINO-1-PROPANOLCHEBI:78502EINECS 220-388-7

Show more names

(S)-2-AMINO-1-PROPANOL2-AMINOPROPANOL310399H-ALA-OLAla-OLL-Ala-olL-Alanino

((S)-1-(HYDROXYMETHYL)ETHYL)AMINERefChem:151792220-388-7(S)-(+)-2-Amino-1-propanol(2S)-2-aminopropan-1-olAlaninolMFCD00064412S-(+)-2-Amino-1-propanol

Database identifiers

CAS: 2749-11-3
PubChem CID: 80307
DTXSID: DTXSID901347737
ChEMBL: CHEMBL1229871
ChEBI: CHEBI:78502
UNII: V403GH89L1
EC Number: 220-388-7
Nikkaji: J71.780K

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 5
Formal charge: 0
Complexity: 22.9

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amino Alcohols, Other

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionClear viscous liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -2 °C · -2°C
Boiling point: 72 · 72-73 °C11 mm Hg(lit.)
alpha: 21.8 · 21.8 º (c=2,ethanol)
Density: 0.965 g/mL · 0.965 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.450
Flash point: 145 °F · 145 °F
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
Water Solubility: Completely miscible in water
solubility: Chloroform, Methanol (Slightly)
pka: 12.88 · 12.88±0.10(Predicted)
form: Oily Liquid
Specific Gravity: 0.96 · 0.96
color: Clear colorless to yellow
optical activity: 20 · [α]20/D +18°, neat
Sensitive: Hygroscopic
BRN: 1718865 · 1718865
InChI: 1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKey: BKMMTJMQCTUHRP-VKHMYHEASA-N
SMILES: C[C@H](N)CO
CAS DataBase Reference: 2749 · 2749-11-3(CAS DataBase Reference)
FDA UNII: 403 GH89L1 · V403GH89L1
NIST Chemistry Reference: 1 · 1-Propanol, 2-amino-, (S)-(2749-11-3)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,Xi
Risk Statements: 34 · 34-36/37/38
Safety Statements: 26 · 26-36/37/39-45-36
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
F: 10 · 10-23
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29221990 · 29221990
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 204 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 08-06-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17701

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F: 10-23
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 2735 8/PG 2
hs_code: 29221990
risk_code: 34-36/37/38
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
safety_code: 26-36/37/39-45-36
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications · 2 items

UsesS-(+)-2-Amino-1-propanol is an aliphatic amino alcohol shown to induce an antiproliferative effect in B16 melanoma cells. S-(+)-2-Amino-1-propanol is used in the preparation of oxazolines which are of ten used as ligands in homogeneous catalysis.

Uses(S)-(+)-2-Amino-1-propanol (L-Alaninol) may be used in the preparation of unsymmetrical tridentate Schiff base ligands via condensation with carbonyl compounds. It may also be used as a chiral auxillary for the preparation of tert-butyl 4-N-[(2-hydroxy-1-(S)-methyl)ethylamino]-2-methylene-4-(S)-phenyl-butyrate.

Upstream & downstream products

Upstream raw materials

L-Alanine

Downstream products

1-AdaMantanethylaMine ERGONOVINE Oxazole, 2,2'-(1-methylethylidene)bis[4,5-dihydro-4-methyl-, (4S,4'S)-N-Benzyl-L-alaninol Carbamic acid, N-[(1S)-2-hydroxy-1-methylethyl]-, methyl ester (S)-2-Amino-tert-butyldimethylsilyloxypropane (S)-(+)-2-(Dibenzylamino)-1-propanol (S)-2-Methyl-1-(4-nitrobenzenesulfonyl)aziridine (S)-2-((2,6-dichloropyrimidin-4-yl)amino)propan-1-ol (S)-Xanthoanthrafil

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Additional notes

DefinitionChEBI: (S)-2-aminopropan-1-ol is a 2-aminopropan-1-ol that has S-configuration. It is a conjugate base of a (S)-2-aminopropan-1-ol(1+). It is an enantiomer of a (R)-2-aminopropan-1-ol.