(1,4-디메틸-1H-이미다졸-2-YL)메탄올

(1,4-dimethyl-1H-imidazol-2-yl)methanol

HCID 12923402CAS 59608-81-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cn(C)c(CO)n1
InChIKey: PUSRNHMKIQVRHH-UHFFFAOYSA-N
분자식: C6H10N2O
평균 분자량: 126.16 g/mol

이름 및 식별자

우선 이름: (1,4-dimethyl-1H-imidazol-2-yl)methanol
IUPAC: (1,4-dimethylimidazol-2-yl)methanol
현지명: (1,4-디메틸-1H-이미다졸-2-YL)메탄올
영어명: (1,4-Dimethyl-1H-imidazol-2-yl)methanol
분자식: C6H10N2O
분자량: 126.16

이름 및 동의어

(1,4-DIMETHYL-1H-IMIDAZOL-2-YL)METHANOL59608-81-0RefChem:391439848-551-3MFCD11110199(1,4-DIMETHYLIMIDAZOL-2-YL)METHANOL1,4-dimethyl-2-hydroxymethylimidazolestarbld0025999SCHEMBL8269744PUSRNHMKIQVRHH-UHFFFAOYSA-NJCA60881(1,4-Dimethyl-2-imidazolyl)methanol

이름 더 보기

(1,4-디메틸-1H-이미다졸-2-YL)메탄올1H-Imidazole-2-methanol, 1,4-dimethyl-

1,4-dimethyl-2-hydroxymethylimidazolAKOS006307165AB634501,4-dimethyl-2-hydroxymethyl-imidazoleSY480620DB-102971EN300-110068Z1198313368

데이터베이스 식별자

CAS: 59608-81-0
PubChem CID: 12923402
EC Number: 848-551-3

물성

구조 계산 물성

XLogP: -0.4
극성 표면적: 38.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

물리화학적 성질

끓는 점: 286.6 · 286.6±23.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
산도 계수 (pKa): 13.88 · 13.88±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): 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)

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