CAS 13472-00-9 2-(4-Aminophenyl)ethylamine (HCID 72895)

Overview

used to prepare derivatives of reducing oligosaccharides; structure given in first source

Names & identifiers

Preferred name: 2-(4-Aminophenyl)ethylamine
IUPAC: 4-(2-aminoethyl)aniline
English name: 2-(4-Aminophenyl)ethylamine
Molecular formula: C8H12N2
Molecular weight: 136.19

Names & synonyms

13472-00-92-(4-Aminophenyl)ethylamine4-AminophenethylamineNSC-299558DTXSID30158902X34DV3E856RefChem:456712DTXCID0081393236-739-24-(2-Aminoethyl)aniline4-(2-Amino-ethyl)-phenylaminep-Aminophenethylamine

Show more names

2-(4-Aminopheneyl)EthylamineRARECHEM AL BW 02614-(2-Aminoethyl)anil4-(ETHYLAMINO)ANILINEAminophenylethylaminep-(2-Aminoethyl)anilineP-AMINOPHENYLETHYLAMINE

Benzeneethanamine, 4-amino-MFCD00008194aminophenethylamine4-(2-Amino-ethyl)-aniline4-(2-aminoethyl)benzenamine4-(2-aminoethyl)phenylamine4-Amino-.beta.-phenylethylamine4-aminophenylethylamine

Database identifiers

CAS: 13472-00-9
PubChem CID: 72895
DTXSID: DTXSID30158902
ChEMBL: CHEMBL1650241
UNII: X34DV3E856
EC Number: 236-739-2
Nikkaji: J264J

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 52 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 85.3

Physicochemical properties

Melting point: 28 · 28-31 °C(lit.)
Boiling point: 103 °C0.3 · 103 °C0.3 mm Hg(lit.)
Density: 1.034 g/mL · 1.034 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.591(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Viscous Liquid
pka: 10.32 · 10.32±0.10(Predicted)
color: Clear light yellow to brown-yellow
Water Solubility: Insoluble in water.
Sensitive: Air Sensitive
BRN: 1099913 · 1099913
Stability: Air Sensitive
InChI: 1S/C8H12N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,9-10H2
InChIKey: LNPMZQXEPNWCMG-UHFFFAOYSA-N
SMILES: NCCc1ccc(N)cc1
CAS DataBase Reference: 13472 · 13472-00-9(CAS DataBase Reference)
FDA UNII: 34 DV3E856 · X34DV3E856
NIST Chemistry Reference: 2 · 2-(4-Aminophenyl)ethylamine(13472-00-9)
UNSPSC Code: 12352100 · 12352100
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 · 34-20/21/22
Safety Statements: 26 · 26-36/37/39-45-27
RIDADR: 3259 · UN 3259 8/PG 2
WGK Germany: 3 · 3
F: 2 · 2-10
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29215900 · 29215900
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
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

H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, 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 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

Safety data

F: 2-10
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3259 8/PG 2
hs_code: 29215900
risk_code: 34-20/21/22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi
safety_code: 26-36/37/39-45-27
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)
Hazard Classifications: Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications

Uses4-(2-Aminoethyl)aniline has been used in chemical modification of silk fibroin to tailor the overall hydrophilicity and structure of silk. It has been used as reagent in polycondensation reactions.

General Description4-(2-Aminoethyl)aniline undergoes coupling with carbohydrates by reductive amination to yield modified carbohydrates.