4-Aminobenzylamine

HCID 427814CAS 4403-71-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: NCc1ccc(N)cc1
InChIKey: BFWYZZPDZZGSLJ-UHFFFAOYSA-N
Summenformel: C7H10N2
Durchschnittliche Molmasse: 122,17 g/mol
Monoisotopische Masse: 122,08439832

Namen und Bezeichner

Bevorzugter Name: 4-Aminobenzylamine
IUPAC: 4-(aminomethyl)aniline
Englischer Name: 4-Aminobenzylamine
Summenformel: C7H10N2
Molmasse: 122.17

Namen und Synonyme

4-Aminobenzylamine4403-71-8DTXSID30330206RefChem:97840DTXCID90281301610-164-04-(Aminomethyl)anilineMFCD00075513CHEMBL148476p-Aminobenzylamine4-(aminomethyl)phenylamineBenzenemethanamine, 4-amino-

Weitere Namen anzeigen

AKOS BB-9159RARECHEM AL BW 0106p-Aminomethylaniline4-Aminobenzylamine 99%4-Aminobenzylamine >4-AMINOBENZYLAMINE 98%+

4-Amonobenzylae4-aminobenzenemethanaminep-Aminobenzylamin4-amino benzylamine4-amino-benzylamine4-aminobenzyl amine4-aminomethyl-aniline4-aminomethylphenylamine

Datenbank-Bezeichner

CAS: 4403-71-8
PubChem CID: 427814
DTXSID: DTXSID30330206
ChEMBL: CHEMBL148476
EC Number: 610-164-0
Nikkaji: J80.821K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 52 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 75

Physikochemische Eigenschaften

Schmelzpunkt: 37 °C · 37 °C
Siedepunkt: 101 °C/0.05 · 101 °C/0.05 mmHg (lit.)
Dichte: 1.078 g/mL · 1.078 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.61(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C, protect from light
pka: 9.65 · 9.65±0.10(Predicted)
Aggregatzustand: Oily Liquid
Farbe: Clear light brown to brown
InChI: 1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2
InChIKey: BFWYZZPDZZGSLJ-UHFFFAOYSA-N
SMILES: NCc1ccc(N)cc1
CAS Datenbank: 4403 · 4403-71-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): 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 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory InformationBenzenemethanamine, 4-amino-: Does not have an individual approval but may be used under an appropriate group standard

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

Sicherheitsdaten

wgk: 3
ridadr: UN 3259 8/PG 2
hs_code: 29215990
risk_code: 34
hazard_code: C
hazard_note: Corrosive
safety_code: 26-28-36/37/39-45
hazard_class: 8
packing_group: III
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Skin Corr. 1B

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden4-Aminobenzylamine may be used:in the electrochemical modification of single-walled carbon nanotubes (SWCNTs), via oxidative couplingin the preparation of a novel acridine-based amino acidin the synthesis of two novel fluorescent Photoinduced Electron Transfer (PET) anion sensors, based on the principle of ′fluorophore-spacer-(anion)receptor′in anodic coupling of SWCNTsin the synthesis of polyacrylamide series containing salicylideneaniline moieties, by a double polymer analogous reaction with reactive precursor polymer poly(pentafluorophenylacrylate) (PPFPA)