CAS 468068-25-9 N-Hydroxy-6-methyl-nicotinamidine (HCID 73867086)

기본 정보

CAS: 468068-25-9
표준 SMILES: Cc1ccc(C(N)=NO)cn1
InChIKey: UDXMAQYWYAORDW-UHFFFAOYSA-N
분자식: C7H9N3O
평균 분자량: 151.17 g/mol
단동위원소 질량: 151.07456192

이름 및 식별자

우선 이름: N-Hydroxy-6-methyl-nicotinamidine
IUPAC: N'-hydroxy-6-methylpyridine-3-carboximidamide
영어명: N-hydroxy-6-methyl-3-Pyridinecarboximidamide
분자식: C7H9N3O
분자량: 151.17

이름 및 동의어

N-Hydroxy-6-methyl-nicotinamidineMFCD22413698468068-25-9SCHEMBL641281SCHEMBL641282SCHEMBL29362978UDXMAQYWYAORDW-UHFFFAOYSA-NN'-hydroxy-6-methylnicotinimidamideDA-42398N'-hydroxy-6-methyl-pyridine-3-carboxamidineF475829(Z)-n'-hydroxy-6-methylnicotinimidamide

이름 더 보기

N'-hydroxy-6-methylpyridine-3-carboxamidineN'-hydroxy-6-methylpyridine-3-carboxamidineN-hydroxy-6-methyl-3-Pyridinecarboximidamide3-Pyridinecarboximidamide, N-hydroxy-6-methyl-

데이터베이스 식별자

CAS: 468068-25-9
PubChem CID: 73867086
EC Number: 177-558-8

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 71.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 158

물리화학적 성질

끓는 점: 273.3 · 273.3±42.0 °C(Predicted)
밀도: 1.26 · 1.26±0.1 g/cm3(Predicted)
산도 계수 (pKa): 13.6 · 13.60±0.50(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.