1-N,1-N-dimethylbenzene-1,4-diamine hydrochloride

• ChemBase ID: 77214
• Molecular Formular: C8H13ClN2
• Molecular Mass: 172.65522
• Monoisotopic Mass: 172.07672611
• SMILES: Nc1ccc(cc1)N(C)C.Cl
• Canonical SMILES: CN(c1ccc(cc1)N)C.Cl
• InChI: InChI=1S/C8H12N2.ClH/c1-10(2)8-5-3-7(9)4-6-8;/h3-6H,9H2,1-2H3;1H
• InChIKey: KTWNIUBGGFBRKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,1-N-dimethylbenzene-1,4-diamine hydrochloride
• IUPAC Traditional name: dimethyl-p-phenylenediamine hydrochloride
• Synonyms: N,N-Dimethyl-p-phenylenediamine hydrochloride; DMPPDA; N,N-Dimethyl-p-phenylenediamine monohydrochloride; 4-(Dimethylamino)aniline monohydrochloride; 4-Amino-N,N-dimethylaniline monohydrochloride; N,N-DIMETHYL-p-PHENYLENEDIAMINE HYDROCHLORIDE (MONO); 4-氨基-N,N-二甲基苯胺 单盐酸盐; 对二甲氨基苯胺 单盐酸盐; N,N-二甲基对苯二胺 单盐酸盐

Database IDs

• CAS Number: 2052-46-2
• EC Number: 218-146-0
• MDL Number: MFCD00012990
• Beilstein Number: 4546912
• PubChem SID: 162042087; 24893912; 24846115
• PubChem CID: 7736

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.047667995
• LogD (pH = 7.4): 1.1568817
• Log P: 1.2523637
• Molar Refractivity: 45.187 cm^3
• Polarizability: 16.303928 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 °C (dec.)(lit.)

Safety Information

• RTECS: ST1750000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25-43; R:22
• Safety Statements: 36/37-45; S:36/37/39
• GHS Pictograms: GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H311-H331-H334
• GHS Precautionary statements: P261-P264-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2
• Storage Temperature: -20°C

Product Information

• Purity: ≥98.0% (AT); 99%
• Linear Formula: (CH3)2NC6H4NH2·HCl

DETAILS

MP Biomedicals - 05202457

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D5004

Caution
Darkens readily to grey powder when exposed to air.
包装
10, 25, 100 g in poly bottle