(2R)-2-(Methoxymethyl)pyrrolidine

HCID 671216CAS 84025-81-0

기본 정보

표준 SMILES: COC[C@H]1CCCN1
InChIKey: CHPRFKYDQRKRRK-ZCFIWIBFSA-N
분자식: C6H13NO
평균 분자량: 115.17 g/mol

이름 및 식별자

우선 이름: (2R)-2-(Methoxymethyl)pyrrolidine
IUPAC: (2R)-2-(methoxymethyl)pyrrolidine
영어명: O-Methyl-D-prolinol
분자식: C6H13NO
분자량: 115.17

이름 및 동의어

84025-81-0(2R)-2-(methoxymethyl)pyrrolidineRefChem:397075626-408-4(R)-2-(Methoxymethyl)pyrrolidine(R)-(-)-2-(Methoxymethyl)pyrrolidineO-Methyl-D-prolinolMFCD00066219(2R)-2-(Methoxymethyl)-pyrrolidine(R)-2-(Methoxymethyl)-pyrrolidine(R)-2-METHOXYMETHYLPYRROLIDINESCHEMBL59330

이름 더 보기

D-Prolinol methyl etherO-METHYL-D-PROLINOL USP/EP/BP(R)-2-(Methoxymethyl)pyrrolidine>(R)-(+)-2-(METHOXYMETHYL)PYRROLIDINE(R)-2-(Methoxymethyl)-pyrrolidine HCl

(R)-(+)-2-(METHOXYMETHYL)PYRROLIDINE(2r)-2-methoxymethyl-pyrrolidine(R)-2-methoxymethyl-pyrrolidineAKOS015851503TS-01599(R)-(-)-2-(Methoxymethyl)pyrrolidine, >=98.0% (sum of enantiomers, GC)PYRROLIDINE, 2-(METHOXYMETHYL)-, (2R)-SCHEMBL173550

데이터베이스 식별자

CAS: 84025-81-0
PubChem CID: 671216
EC Number: 626-408-4
Nikkaji: J1.060.262I

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 21.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 8
형식 전하: 0
복잡도: 65.5

물리화학적 성질

끓는 점: 61 · 61-62°C 40mm
밀도: 0.932 g/mL · 0.932 g/mL at 20 °C(lit.)
굴절률: 20 · n20/D 1.446
인화점: 45 °C · 45°C
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: 액체
산도 계수 (pKa): 10.01 · 10.01±0.10(Predicted)
색상: 무색의
BRN: 4229755 · 4229755
InChI: InChI=1S/C6H13NO/c1-8-5-6-3-2-4-7-6/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKey: CHPRFKYDQRKRRK-ZCFIWIBFSA-N
SMILES: N1CCC[C@@H]1COC

화학적 성질

Colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H226 (97.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.