메틸아미노아세토니트릴 하이드로 클로라이드

Acetonitrile, 2-(methylamino)-, hydrochloride (1:1)

HCID 117641

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 25808-30-4
표준 SMILES: CNCC#N.Cl
InChIKey: DFKBQHBEROHUNF-UHFFFAOYSA-N
분자식: C3H7ClN2
평균 분자량: 106.55 g/mol
단동위원소 질량: 106.0297759

이름 및 식별자

우선 이름: Acetonitrile, 2-(methylamino)-, hydrochloride (1:1)
IUPAC: 2-(methylamino)acetonitrile;hydrochloride
현지명: 메틸아미노아세토니트릴 하이드로 클로라이드
영어명: Methylaminoacetonitrile hydrochloride
분자식: C3H7ClN2
분자량: 106.55

이름 및 동의어

Methylaminoacetonitrile hydrochlorideAcetonitrile, 2-(methylamino)-, hydrochloride (1:1)Cyanomethyl(methyl)ammonium chlorideR6AU3C4NY5N-Methylaminoacetonitrile hydrochlorideDTXSID3067152(METHYLAMINO)ACETONITRILE MONOHYDROCHLORIDERefChem:199347DTXCID703739725808-30-42-(methylamino)acetonitrile hydrochlorideAcetonitrile, (methylamino)-, monohydrochloride

이름 더 보기

메틸아미노아세토나이트릴수화염화물메틸아미노아세토니트릴수화염화물메틸아미노아세토니트릴하이드로클로라이드메틸아미노아세토나이트릴수화염화물(METHYLAMINOACETONITRILEHYDROCHLORIDE)SARCOSINITRILEJACS-25808-30-4MethylaminoacetonitrMETHYLAMINOACETONITRILE HCLSARCOSINITRILE HYDROCHLORIDEN-METHYL AMINOACETONITRILE HCLSARCOSINE NITRILE HYDROCHLORIDE(methylamino)acetonitrilhydrochlorid

MFCD00012587C3H7ClN2Methylaminoacetonitrile, hydrochloride2-(methylamino)acetonitrile;hydrochlorideSCHEMBL846682CS-W002073GS-3232BP-12476

데이터베이스 식별자

CAS: 25808-30-4
PubChem CID: 117641
DTXSID: DTXSID3067152
UNII: R6AU3C4NY5
EC Number: 247-277-6

물성

구조 계산 물성

극성 표면적: 35.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 6
형식 전하: 0
복잡도: 49.2

물리화학적 성질

녹는점: 103 · 103-106 °C(lit.)
저장 조건: Inert atmosphere,Room Temperature
BRN: 3908975 · 3908975
InChI: 1S/C3H6N2.ClH/c1-5-3-2-4;/h5H,3H2,1H3;1H
InChIKey: DFKBQHBEROHUNF-UHFFFAOYSA-N
SMILES: Cl.CNCC#N
EPA: Acetonitrile, (methylamino)-, monohydrochloride (25808-30-4)

화학적 성질

Yellow crystal

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29269090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-23422
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationAcetonitrile, 2-(methylamino)-, hydrochloride (1:1): ACTIVE

응용 분야 · 1건

용도Methylaminoacetonitrile hydrochloride can be used as an intermediate in pharmaceutical and chemical synthesis. It is the raw material for the preparation of tadalafil. Approved by the FDA in 2003, tadalafil was marketed in the United States as a drug for the treatment of erectile dysfunction in men.