(S)-2-메틸-피롤리딘

(2S)-2-methylpyrrolidine

HCID 6999702

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 59335-84-1
표준 SMILES: C[C@H]1CCCN1
InChIKey: RGHPCLZJAFCTIK-YFKPBYRVSA-N
분자식: C5H11N
평균 분자량: 85.15 g/mol

이름 및 식별자

우선 이름: (2S)-2-methylpyrrolidine
IUPAC: (2S)-2-methylpyrrolidine
현지명: (S)-2-메틸-피롤리딘
영어명: (S)-2-Methyl-pyrrolidine
분자식: C5H11N
분자량: 85.15

이름 및 동의어

59335-84-1(2S)-2-methylpyrrolidineRefChem:398470625-981-8(S)-2-METHYLPYRROLIDINE(S)-2-Methyl-pyrrolidineMFCD07779425(S)-(+)-2-MethylpyrrolidinePyrrolidine, 2-methyl-, (2S)-2-(S)-methylpyrrolidine(s)-2-methyl pyrrolidine(2S)-2-methyl pyrrolidine

이름 더 보기

(S)-2-메틸-피롤리딘D-2-METHYLPYRROLIDINEMETHYLPYRROLIDINE(S-2-)(S)-(+)-2-Methylpyrrolidine 97%

SCHEMBL489083(S)-(-)-2-methylpyrrolidineSCHEMBL1032379SCHEMBL1892822SCHEMBL5411861SCHEMBL16100668SCHEMBL21813531SCHEMBL28411866

데이터베이스 식별자

CAS: 59335-84-1
PubChem CID: 6999702
EC Number: 625-981-8
Nikkaji: J825.505I

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 12 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 6
형식 전하: 0
복잡도: 43.2

물리화학적 성질

끓는 점: 97 · 97-99 °C(lit.)
밀도: 0.842 g/mL · 0.842 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4354
인화점: 45 °F · 45 °F
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.93 · 10.93±0.10(Predicted)
InChI: 1S/C5H11N/c1-5-3-2-4-6-5/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKey: RGHPCLZJAFCTIK-YFKPBYRVSA-N
SMILES: C[C@H]1CCCN1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]

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

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.