Propanenitrile, 3-(methylamino)-

HCID 69656CAS 693-05-0

기본 정보

표준 SMILES: CNCCC#N
InChIKey: UNIJBMUBHBAUET-UHFFFAOYSA-N
분자식: C4H8N2
평균 분자량: 84.12 g/mol
단동위원소 질량: 84.06874826

이름 및 식별자

우선 이름: Propanenitrile, 3-(methylamino)-
IUPAC: 3-(methylamino)propanenitrile
영어명: 3-Methylaminopropionitrile
분자식: C4H8N2
분자량: 84.12

이름 및 동의어

3-(Methylamino)propanenitrile693-05-03-MethylaminopropionitrilePropanenitrile, 3-(methylamino)-(2-Cyanoethyl)methyl aminePropionitrile, 3-(methylamino)-N-(2-Cyanoethyl)methylamine3-(N-Methylamino)propionitrile(2-Cyanoethyl)methylamineNSC 8399beta-(Methylamino)propionitrileN-(beta-Cyanoethyl)methylamine

이름 더 보기

N-METHYL-BETA-ALANINENITRILE3-(Methyl3-A aMinopropionitrileMethylaMino)propionitrilN-METHYL-B-ALANINENITRILEMethyl(2-cyanoethyl)aminen-methyl-β-alaninenitrile

N-Methyl-beta-aminopropionitrilebeta-MethylaminopropionitrilEINECS 211-740-0beta-Methylaminopropionitril [German]BRN 1699160AI3-26057DTXSID80610043-04-00-01264 (Beilstein Handbook Reference)

데이터베이스 식별자

CAS: 693-05-0
PubChem CID: 69656
DTXSID: DTXSID8061004
EC Number: 211-740-0
Nikkaji: J27.768A

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 35.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 59

물리화학적 성질

녹는점: 49 · 49-50 °C
끓는 점: 182 · 182-186 °C
밀도: 0.899 g/mL · 0.899 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.432(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
산도 계수 (pKa): 8.27 · 8.27±0.10(Predicted)
물리적 상태: 액체
색상: 맑은 노란색
BRN: 1699160 · 1699160
InChI: 1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
InChIKey: UNIJBMUBHBAUET-UHFFFAOYSA-N
SMILES: CNCCC#N
NIST: 3 · Propanenitrile, 3-(methylamino)-(693-05-0)
EPA: 3 · Propanenitrile, 3-(methylamino)- (693-05-0)

화학적 성질

CLEAR YELLOW LIQUID

안전 및 규제

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TZ4910000
HS 번호: 29269095
risk_code: 20/21-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36/37-37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도(3-MethylaMinopropionitrile) Aminoproponitriles can be used as inhibitors of oxidase enzymes and as a reagent for aminomethylphosphine ligands or the synthesis of aminobenzothiazoles.