(S)-(+)-1-METHOXY-2-프로필라미네

2-Propanamine, 1-methoxy-, (2S)-

HCID 7021536

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 99636-32-5
표준 SMILES: COC[C@H](C)N
InChIKey: NXMXETCTWNXSFG-BYPYZUCNSA-N
분자식: C4H11NO
평균 분자량: 89.14 g/mol
단동위원소 질량: 89.08406397

이름 및 식별자

우선 이름: 2-Propanamine, 1-methoxy-, (2S)-
IUPAC: (2S)-1-methoxypropan-2-amine
현지명: (S)-(+)-1-METHOXY-2-프로필라미네
영어명: (S)-(+)-1-METHOXY-2-PROPYLAMINE
분자식: C4H11NO
분자량: 89.14

이름 및 동의어

99636-32-5(S)-(+)-1-METHOXY-2-PROPYLAMINE2-Propanamine, 1-methoxy-, (2S)-DTXSID9072997RefChem:478318(-)-2-Amino-1-methoxypropaneDTXCID7049136700-220-3(2S)-1-methoxypropan-2-amine(S)-1-METHOXY-2-PROPYLAMINE(S)-1-methoxy-2-aminopropaneMFCD01075730

이름 더 보기

(S)-(+)-1-METHOXY-2-프로필라미네, produced by BASF, 99%1-Methoxy-2-Propylamine (SMPA)

(S)-1-Methoxypropan-2-amine(2S)-1-Methoxy-2-propanamine(S)-1methoxy-2-aminopropane(1S)-2-Methoxy-1-methylethylamine(2~{S})-1-methoxypropan-2-amine(S)-(+)-1-Methoxy-2-propylamine, AldrichCPRF8881-8942(S)-2-Amino-1-methoxypropane

데이터베이스 식별자

CAS: 99636-32-5
PubChem CID: 7021536
DTXSID: DTXSID9072997
EC Number: 700-220-3
Nikkaji: J1.183.005F

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 35.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 30.7

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점: -95 °C · -95°C
끓는 점: 92 · 92-94°C 68mm
밀도: 0 · 0,844 g/cm3
굴절률: 1.4044 · 1.4044
인화점: 9 °C · 9°C
저장 조건: 2 · 2-8°C, protect from light
물리적 상태: liquid
산도 계수 (pKa): 8.84 · 8.84±0.10(Predicted)
수용성: 물에 완전히 섞임.
BRN: 5725728 · 5725728
InChI: InChI=1S/C4H11NO/c1-4(5)3-6-2/h4H,3,5H2,1-2H3/t4-/m0/s1
InChIKey: NXMXETCTWNXSFG-BYPYZUCNSA-N
SMILES: C(OC)[C@@H](N)C
EPA: 2 · 2-Propanamine, 1-methoxy-, (2S)- (99636-32-5)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 148 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

2-Propanamine, 1-methoxy-, (2S)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propanamine, 1-methoxy-, (2S)- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/18343

Hazard Classes and CategoriesFlam. Liq. 2 (100%)