1,3-티아졸-4-일메틸아민

1,3-Thiazol-4-ylmethanamine

HCID 15063652

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 16188-30-0
표준 SMILES: NCc1cscn1
InChIKey: YFEQTUUFQKDATK-UHFFFAOYSA-N
분자식: C4H6N2S
평균 분자량: 114.17 g/mol
단동위원소 질량: 114.02516937

이름 및 식별자

우선 이름: 1,3-Thiazol-4-ylmethanamine
IUPAC: 1,3-thiazol-4-ylmethanamine
현지명: 1,3-티아졸-4-일메틸아민
영어명: Thiazol-4-ylmethanamine
분자식: C4H6N2S
분자량: 114.17

이름 및 동의어

1,3-thiazol-4-ylmethanamineRefChem:415725827-339-416188-30-0Thiazol-4-ylmethanamine4-THIAZOLEMETHANAMINEC-THIAZOL-4-YL-METHYLAMINE1,3-thiazol-4-ylmethylamineMFCD06797207(1,3-thiazol-4-yl)methanamine1-(1,3-thiazol-4-yl)methanamine4-aminomethylthiazole

이름 더 보기

1,3-티아졸-4-일메틸아민ALINDA 2684-(aminomethyl)thiazoleC-THIAZOL-4-YL-METHYLAMINE HCl salt1,3-Thiazol-4-ylmethanamine hydrochloride

(Thiazol-4-yl)methanamineSCHEMBL1190495SCHEMBL1339121SCHEMBL1751931SCHEMBL10874669(1,3-thiazol-4-ylmethyl)amineDTXSID20567726YFEQTUUFQKDATK-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 16188-30-0
PubChem CID: 15063652
DTXSID: DTXSID20567726
EC Number: 827-339-4

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: 7
형식 전하: 0
복잡도: 57

물리화학적 성질

녹는점: 241.5 · 241.5-242.5 °C(Solv: ethanol (64-17-5))
끓는 점: 90 · 90-93 °C(Press: 12 Torr)
밀도: 1.239 · 1.239±0.06 g/cm3(Predicted)
산도 계수 (pKa): 7.62 · 7.62±0.29(Predicted)
InChI: InChI=1S/C4H6N2S/c5-1-4-2-7-3-6-4/h2-3H,1,5H2
InChIKey: YFEQTUUFQKDATK-UHFFFAOYSA-N
SMILES: S1C=C(CN)N=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (33.3%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (33.3%): 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]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (66.7%)；Skin Corr. 1B (33.3%)；Skin Irrit. 2 (66.7%)；Eye Dam. 1 (33.3%)；Eye Irrit. 2A (33.3%)；STOT SE 3 (100%)

안전 데이터

hazard_code: Xi

화학 및 산업

응용 분야

용도(1,3-Thiazol-4-ylmethyl)amine is used as a reactant in the preparation of quinazoline antifolate thymidylate synthase inhibitors via replacement of glutamic acid.

공급사43 곳

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

上海爱孜康医药研究有限公司18721109360 · [email protected]

上海相辉医药科技有限公司13761987713 · [email protected]

南京诺利斯医药科技有限公司13901585132 · [email protected]

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