CAS 6291-84-5 N-Methyl-1,3-propanediamine (HCID 80511)

概要

3-methylaminopropylamine is a dark amber liquid. (NTP, 1992)

名称と識別子

優先名称: N-Methyl-1,3-propanediamine
IUPAC: N'-methylpropane-1,3-diamine
現地名: N-メチル-1,3-ジアミノプロパン
英語名: N-Methyl-1,3-propanediamine
分子式: C4H12N2
分子量: 88.15

名称と別名

N-Methyl-1,3-propanediamine6291-84-5N-Methyl-1,3-diaminopropane1,3-Propanediamine, N-methyl-(3-Aminopropyl)methylamineN-Methyl-1,3-propylenediamine3-Methylaminopropylamine3-AminopropylmethylamineN1-methylpropane-1,3-diamine1,3-Propanediamine, N1-methyl-NSC 8160EINECS 228-544-6

名称をさらに表示

N-メチル-1,3-ジアミノプロパンN-メチル-1,3-プロパンジアミンγ-(メチルアミノ)プロパン-1-アミンN-メチルトリメチレンジアミンN-メチルプロパン-1,3-ジアミン3-(メチルアミノ)プロピルアミンγ（メチルアミノ）プロピルアミン3-メチルアミノプロピルアミンN1-メチル-1,3-プロパンジアミンMAPA標準品Ｎ-メチル-1,3-プロパンジアミン標準品MAPA3-(METHYLAMINO)PROPYLAMINEN-Methyl-1,3-diaminopropane,3-(Methylamino)propylamine, N-Methyl-1,3-propanediamineUNQ6169PRO20174FENTAMINE MAPARARECHEM AL BW 0071-1,3-diaminopropane

AI3-25443NSC-81604YP367238KDTXSID5064201N-(3-AMINOPROPYL)METHYLAMINE3-(METHYLAMINO)-1-PROPYLAMINEN-(3-AMINOPROPYL)-N-METHYLAMINERefChem:830278

データベース識別子

CAS: 6291-84-5
PubChem CID: 80511
DTXSID: DTXSID5064201
ChEMBL: CHEMBL174165
UNII: 4YP367238K
EC Number: 228-544-6
Nikkaji: J25.750H

物性

構造計算による物性

XLogP: -0.8
極性表面積: 38.1 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 3
重原子数: 6
形式電荷: 0
複雑度: 21.5

実験および物理化学的性質

Density0.844 (NTP, 1992) - Less dense than water; will float

Solubilitygreater than or equal to 100 mg/mL at 66 °F (NTP, 1992)

Flash Point96 °F (NTP, 1992)

Boiling Point282 to 286 °F at 760 mmHg (NTP, 1992)

Physical Description3-methylaminopropylamine is a dark amber liquid. (NTP, 1992)

物理化学的性質

融点: -72 °C · -72 °C
沸点: 139 · 139-141 °C (lit.)
比重(密度): 0.844 g/mL · 0.844 g/mL at 25 °C (lit.)
蒸気圧: 13.331 hPa · 13.331hPa at 39.37℃
屈折率: 20 · n20/D 1.447(lit.)
闪点: 96 °F · 96 °F
貯蔵温度: 2 · 2-8°C
溶解性: Completely miscible in water
外見: 液体
酸解離定数(Pka): 10.6 · 10.60±0.10(Predicted)
色: クリア
PH: 13.5 · 13.5 (100g/l, H2O, 20℃)
爆発限界(explosive limit): 1.8 · 1.8-12.8%(V)
水溶解度: 1000 g/L · 1000g/L at 25℃
BRN: 878143 · 878143
Henry's Law Constant: 1.4 · 1.4×103 mol/(m3Pa) at 25℃, Nguyen (2013)
InChI: 1S/C4H12N2/c1-6-4-2-3-5/h6H,2-5H2,1H3
InChIKey: QHJABUZHRJTCAR-UHFFFAOYSA-N
SMILES: CNCCCN
LogP: -0.66 · -0.66
CAS データベース: 6291 · 6291-84-5(CAS DataBase Reference)
EPAの化学物質情報: -1 · N-Methyl-1,3-propanediamine (6291-84-5)

化学的性質

化学的特性clear liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 645 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 2 件

Chemical: 1,3-Propanediamine, N-methyl-

Status: Active Update: 27-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20668

DOT LabelFlammable Liquid

Fire HazardsThis chemical is flammable. (NTP, 1992)

Health HazardsACUTE/CHRONIC HAZARDS: This compound is flammable and corrosive. (NTP, 1992)

Reactive GroupAmines, Phosphines, and Pyridines

Reactivity AlertsHighly Flammable

安全と保護具

Fire FightingFires involving this compound can be extinguished using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

安全データ

wgk: 3
tsca: TSCA listed
rtecs: TX8242500
ridadr: UN 2734 8/PG 2
hs_code: 29212900
risk_code: 10-20/21/22-34
化審法: (9)-1389
消防法: 危-4-2-III
hazard_code: F,C,Xi
safety_code: 16-26-36/37-45
hazard_class: 8
packing_group: II
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1A
ストレージクラス: 3 - Flammable liquids

化学と産業

用途と製造

General Manufacturing Information1,3-Propanediamine, N1-methyl-: ACTIVE

応用分野 · 2 件

使用N-Methyl-1,3-diaminopropane (MeDAP) has been used as a structure directing molecule in the synthesis of two crystalline aluminophosphates. It has also been used in the synthesis of an intermediate of alfuzosin and lapyrium chloride with lipases as catalysts.

一般的な説明Dark amber liquid.