1-메틸피롤리딘-2-메틸아민

1-Methylpyrrolidine-2-methylamine

HCID 117300CAS 26171-06-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCCC1CN
InChIKey: JUFKJRCMBLLXNH-UHFFFAOYSA-N
분자식: C6H14N2
평균 분자량: 114.19 g/mol
단동위원소 질량: 114.11569846

이름 및 식별자

우선 이름: 1-Methylpyrrolidine-2-methylamine
IUPAC: (1-methylpyrrolidin-2-yl)methanamine
현지명: 1-메틸피롤리딘-2-메틸아민
영어명: 1-methylpyrrolidine-2-methylamine
분자식: C6H14N2
분자량: 114.19

이름 및 동의어

1-Methylpyrrolidine-2-methylamineEINECS 247-496-71-Methyl-2-pyrrolidinemethanamineRefChem:434681247-496-726171-06-2(1-methylpyrrolidin-2-yl)methanamine2-pyrrolidinemethanamine, 1-methyl-MFCD099717981-(1-methylpyrrolidin-2-yl)methanamine2-Aminomethyl-1-methylpyrrolidine(1-METHYLPYRROLIDIN-2-YL)METHYLAMINE

이름 더 보기

1-메틸피롤리딘-2-메틸아민1-methylpyrrolidine-2-methyrac 2-Aminomethyl-1-methyl-pyrro(1-methyl-2-pyrrolidinyl)methanamine1-Methyl-2-pyrrolidinemethanamine 2HCl

1-(1-methyl-2-pyrrolidinyl)methanamineC-(1-methyl-pyrrolidin-2-yl)-methylamine1-methyl-2-aminomethyl-pyrrolidineSCHEMBL1621133SCHEMBL29764641-methyl-2-aminomethylpyrrolidineDTXSID009490411-Methylpyrrolidine-2-methanamine

데이터베이스 식별자

CAS: 26171-06-2
PubChem CID: 117300
DTXSID: DTXSID00949041
EC Number: 247-496-7
Nikkaji: J308.396I

물성

구조 계산 물성

XLogP: -0.1
극성 표면적: 29.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 72

물리화학적 성질

끓는 점: 152 · 152-153 °C
밀도: 0.917 · 0.917±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 9.97 · 9.97±0.40(Predicted)
InChI: InChI=1S/C6H14N2/c1-8-4-2-3-6(8)5-7/h6H,2-5,7H2,1H3
InChIKey: JUFKJRCMBLLXNH-UHFFFAOYSA-N
SMILES: N1(C)CCCC1CN

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.