(5-아미노-1H-[1,2,4]트리아졸-3-일)-메탄올

(5-amino-1H-1,2,4-triazol-3-yl)methanol

HCID 222697CAS 27277-03-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Nc1n[nH]c(CO)n1
InChIKey: WQWSMVWRGAFPJX-UHFFFAOYSA-N
분자식: C3H6N4O
평균 분자량: 114.11 g/mol
단동위원소 질량: 114.05416083

이름 및 식별자

우선 이름: (5-amino-1H-1,2,4-triazol-3-yl)methanol
IUPAC: (3-amino-1H-1,2,4-triazol-5-yl)methanol
현지명: (5-아미노-1H-[1,2,4]트리아졸-3-일)-메탄올
영어명: (5-Amino-1H-[1,2,4]triazol-3-yl)-methanol
분자식: C3H6N4O
분자량: 114.11

이름 및 동의어

(5-amino-1H-1,2,4-triazol-3-yl)methanolRefChem:403776803-426-227277-03-8(5-Amino-1H-[1,2,4]triazol-3-yl)-methanol(3-amino-1H-1,2,4-triazol-5-yl)methanolMFCD029331805-amino-1H-1,2,4-Triazole-3-methanol(5-amino-4H-1,2,4-triazol-3-yl)methanolF3412-0009(5-amino-1H-1,2,4-triazol-3-yl)methan-1-ol1h-1,2,4-triazole-3-methanol, 5-amino-

이름 더 보기

(5-아미노-1H-[1,2,4]트리아졸-3-일)-메탄올SKL3943-aMino-5-hydroxyMethyl-s-triazole3-aMino-5-hydroxyMethyl-1,2,4-triazole(3-amino-3H-1,2,4-triazol-5-yl)methanol

NSC513582SCHEMBL1464442SCHEMBL1930807SCHEMBL2868195SCHEMBL2868201CHEMBL3546138DTXSID50950001SMSSF-0113500

데이터베이스 식별자

CAS: 27277-03-8、63870-39-3
PubChem CID: 222697
DTXSID: DTXSID50950001
ChEMBL: CHEMBL3546138
EC Number: 803-426-2
Nikkaji: J39.077A

물성

구조 계산 물성

XLogP: -1.2
극성 표면적: 87.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 77

물리화학적 성질

끓는 점: 461.3 · 461.3±47.0 °C(Predicted)
밀도: 1.623 · 1.623±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Inert atmosphere,Room temperature
산도 계수 (pKa): 11.14 · 11.14±0.40(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.