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

개요

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

이름 및 식별자

우선 이름: N-Methyl-1,3-propanediamine
IUPAC: N'-methylpropane-1,3-diamine
현지명: N-메틸-1,3-프로페인다이아민
영어명: N-Methyl-1,3-propanediamine
분자식: C4H12N2
분자량: 88.15

이름 및 동의어

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

이름 더 보기

3-(메틸아미노)프로필아민N-메틸-1,3-프로페인다이아민MAPA3-(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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 6
형식 전하: 0
복잡도: 21.5

실험 및 물리화학적 성질

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)

물리화학적 성질

녹는점: -72 °C · -72 °C
끓는 점: 139 · 139-141 °C (lit.)
밀도: 0.844 g/mL · 0.844 g/mL at 25 °C (lit.)
증기압: 13.331 hPa · 13.331hPa at 39.37℃
굴절률: 20 · n20/D 1.447(lit.)
인화점: 96 °F · 96 °F
저장 조건: 2 · 2-8°C
용해도: Completely miscible in water
물리적 상태: 액체
산도 계수 (pKa): 10.6 · 10.60±0.10(Predicted)
색상: 투명한
수소이온지수(pH): 13.5 · 13.5 (100g/l, H2O, 20℃)
폭발한계: 1.8 · 1.8-12.8%(V)
수용성: 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
EPA: -1 · N-Methyl-1,3-propanediamine (6291-84-5)

화학적 성질

clear liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 2건

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

안전 및 보호

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

First Aid · 1건

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 · 1건

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.

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TX8242500
ridadr: UN 2734 8/PG 2
HS 번호: 29212900
risk_code: 10-20/21/22-34
hazard_code: F,C,Xi
safety_code: 16-26-36/37-45
포장분류: II
위험 등급: 8
기존화학 물질: KE-24866
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Flam. Liq. 3Skin Corr. 1A
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

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

응용 분야 · 2건

용도N-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.

일반 설명Dark amber liquid.