(2-메틸-1,3-티아졸-5-일)메틸아민

(2-Methyl-1,3-thiazol-5-yl)methanamine

HCID 19046689

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 63139-97-9
표준 SMILES: Cc1ncc(CN)s1
InChIKey: XYRSJQNUWZHRBX-UHFFFAOYSA-N
분자식: C5H8N2S
평균 분자량: 128.2 g/mol
단동위원소 질량: 128.04081944

이름 및 식별자

우선 이름: (2-Methyl-1,3-thiazol-5-yl)methanamine
IUPAC: (2-methyl-1,3-thiazol-5-yl)methanamine
현지명: (2-메틸-1,3-티아졸-5-일)메틸아민
영어명: (2-Methyl-1,3-thiazol-5-yl)methylamine
분자식: C5H8N2S
분자량: 128.2

이름 및 동의어

(2-methyl-1,3-thiazol-5-yl)methanamineRefChem:396037820-109-4(2-methylthiazol-5-yl)methanamine63139-97-9C-(2-Methyl-thiazol-5-yl)-methylamine5-(aminomethyl)-2-methylthiazoleMFCD028536145-Thiazolemethanamine, 2-methyl-(2-METHYL-1,3-THIAZOL-5-YL)METHYLAMINESCHEMBL243107DTXSID20597689

이름 더 보기

(2-메틸-1,3-티아졸-5-일)메틸아민(2-methylthiazole-5-yl)methylamine

BS-12866CS-0113081F14010XYRSJQNUWZHRBX1-(2-Methyl-1,3-thiazol-5-yl)methanamineA902007SCHEMBL3695252XYRSJQNUWZHRBX-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 63139-97-9
PubChem CID: 19046689
DTXSID: DTXSID20597689
EC Number: 820-109-4

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 67.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 76

물리화학적 성질

끓는 점: 221.4 · 221.4±15.0 °C(Predicted)
밀도: 1.182 · 1.182±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
산도 계수 (pKa): 8.26 · 8.26±0.29(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger 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, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.