1-Phenethylamine, (+)- (HCID 643189)

Overview

(1R)-1-phenylethanamine is the (R)-enantiomer of 1-phenylethanamine. It is a conjugate base of a (1R)-1-phenylethanaminium. It is an enantiomer of a (1S)-1-phenylethanamine.

Names & identifiers

Preferred name: 1-Phenethylamine, (+)-
IUPAC: (1R)-1-phenylethanamine
English name: (R)-(+)-1-Phenylethylamine
Molecular formula: C8H11N
Molecular weight: 121.18

Names & synonyms

3886-69-9(R)-(+)-1-Phenylethylamine(R)-(+)-alpha-MethylbenzylamineD-alpha-Methylbenzylamine1-Phenethylamine, (+)-d-1-phenylethylamineV022ZK8GZ5r-(+)-methylbenzylamineEINECS 223-423-4Benzenemethanamine, .alpha.-methyl-, (.alpha.R)-(r)-(+)-1-phenethylamineD-.ALPHA.-PHENETHYLAMINE

Show more names

(R)-1-phenylethan-1-amine(R)-1-PHENYLETHYLAMINER-(+)-ALPHA-PHENYLETHYLAMINE(1R)-1-PHENYLETHANAMINE(R)-1-phenethylamine(R)-(+)-α-MethylbenzylamineD-ALPHA-PHENYLETHYLAMINE(theta)-benzenemethanaminD-PHENYLETHYLAMINE

Benzenemethanamine, alpha-methyl-, (alphaR)-DTXSID80930735EC 223-423-4D-.ALPHA.-METHYLBENZYLAMINE(R)-(+)-1-PHENYLETHANAMINE.ALPHA.-METHYLBENZYLAMINE (+)-FORM [MI][R]-(+)-1-phenylethylamine(+)-phenylethylamine

Database identifiers

CAS: 3886-69-9
PubChem CID: 643189
DTXSID: DTXSID80930735
ChEMBL: CHEMBL19969
ChEBI: CHEBI:35322
UNII: V022ZK8GZ5
EC Number: 223-423-4
Nikkaji: J45.982H

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 74.6

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

SpringerMaterials PropertiesBoiling point

Physical DescriptionColorless to light yellow liquid; [Alfa Aesar MSDS]

Physicochemical properties

Melting point: -10 °C · -10 °C
alpha: 40 · 40 º (neat)
Boiling point: 187 · 187-189 °C(lit.)
Density: 0.952 g/mL · 0.952 g/mL at 20 °C(lit.)
vapor pressure: 0.5 mm · 0.5 mm Hg ( 20 °C)
refractive index: 20 · n20/D 1.526(lit.)
Flash point: 175 °F · 175 °F
storage temp.: 2 · 2-8°C
solubility: 40 g/l · 40g/l
form: Liquid
pka: 9.04 · 9.04±0.10(Predicted)
color: Clear colorless
PH: 7 · >7 (40g/l, H2O, 20℃)
optical activity: 23 · [α]23/D +38°, neat
Water Solubility: 40 g/L · 40 g/L (20 ºC)
Sensitive: Air Sensitive
Merck: 14 · 14,6026
BRN: 2410916 · 2410916
InChI: 1S/C8H11N/c1-7(9)8-5-3-2-4-6-8/h2-7H,9H2,1H3/t7-/m1/s1
InChIKey: RQEUFEKYXDPUSK-SSDOTTSWSA-N
SMILES: C[C@@H](N)c1ccccc1
LogP: 1.31 · 1.31-1.49 at 25℃
CAS DataBase Reference: 3886 · 3886-69-9(CAS DataBase Reference)
FDA UNII: 22 ZK8GZ5 · V022ZK8GZ5
NIST Chemistry Reference: Benzenemethanamine, «alpha»-methyl-, (R)-(3886-69-9)
EPA Substance Registry System: Benzenemethanamine, .alpha.-methyl-, (.alpha.R)- (3886-69-9)
UNSPSC Code: 12352116 · 12352116
NACRES: 24 · NA.24
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312-H314
Precautionary statements: 270 · P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes: C
Risk Statements: 21 · 21/22-34
Safety Statements: 26 · 26-28-36/37/39-45-28A-27
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
F: 3 · 3-10-23-34
Autoignition Temperature: 355 °C · 355 °C DIN 51794
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214980 · 29214980
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (98.8%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 172 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Benzenemethanamine, .alpha.-methyl-, (R)-

Status: Active Update: 19-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/20127

(R)-(+)-1-Phenylethylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Harmful by ingestion and skin absorption; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (98.8%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

F: 3-10-23-34
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 2
hs_code: 29214980
risk_code: 21/22-34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
safety_code: 26-28-36/37/39-45-28A-27
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H302+H312-H314
REACH Registrations: Active
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Skin Corr. 1B
Autoignition Temperature: 355 °C DIN 51794
Precautionary statements: P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Uses & manufacturing

UsesUsed as an intermediate; [ExPub: ECHA REACH Registrations]

General Manufacturing InformationBenzenemethanamine, .alpha.-methyl-, (.alpha.R)-: ACTIVE

Applications · 3 items

Uses(R)-(+)-1-Phenylethylamine is a chiral amine used for the determination of the enantiomeric purity of acids.

Uses(R)-(+)-a-Methylbenzylamine also known as (R)-(+)-1-Phenylethylamine may be used in resolution of a chiral arylalkylamine involving high-conversion enantioselective condensation with capric acid followed by hydrolysis to yield corresponding (R)-(+)-amide.

General Description(R)-(+)-α-Methylbenzylamine is a chiral amine.

Upstream & downstream products

Downstream products

(+)-Bis[(R)-1-phenylethyl]amine (R)-(+)-2-Methyl-2-propanesulfinamide (R)-(+)-1,1'-Bi-2-naphthol DL-alpha-Methylbenzylamine (R,R)-(+)-Bis(alpha-methylbenzyl)amine hydrochloride (S)-(-)-1,1'-Bi-2-naphthol (S)-3-Aminoquinuclidine dihydrochloride (R)-(+)-Bornylamine (R)-Piperazine-2-carboxylic acid (R)-(+)-(3,4-Dimethoxy)benzyl-1-phenylethylamine (S)2-(2-Oxo pyrrolidin-1-yl)-Butiric acid methyl ester (R)-(+)-N-(1-Phenylethyl)phthalamic acid

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: The (R)-enantiomer of 1-phenylethanamine.

Related reactions

1,205 records

New reaction record

HRID 23329As reactantuspto-grants-2005_02

HRID 23454As reactantuspto-grants-2005_02

HRID 23455As reactantuspto-grants-2005_02

HRID 42354As reactantuspto-grants-2013_09

HRID 47586As reactantuspto-grants-2004_03

HRID 49463As reactantuspto-grants-2004_03

HRID 49466As reactantuspto-grants-2004_03

HRID 50806As reactantuspto-grants-2004_03

Linked notes

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Basic information