4-티아디아졸,2-아미노-5-시클로헥실-3

5-Cyclohexyl-1,3,4-thiadiazol-2-amine

HCID 732629

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 56882-77-0
표준 SMILES: Nc1nnc(C2CCCCC2)s1
InChIKey: BLBDGPFJLDEFFL-UHFFFAOYSA-N
분자식: C8H13N3S
평균 분자량: 183.28 g/mol
단동위원소 질량: 183.08301842

이름 및 식별자

우선 이름: 5-Cyclohexyl-1,3,4-thiadiazol-2-amine
IUPAC: 5-cyclohexyl-1,3,4-thiadiazol-2-amine
현지명: 4-티아디아졸,2-아미노-5-시클로헥실-3
영어명: 4-thiadiazole,2-amino-5-cyclohexyl-3
분자식: C8H13N3S
분자량: 183.27

이름 및 동의어

5-cyclohexyl-1,3,4-thiadiazol-2-amineRefChem:535113824-205-756882-77-0MFCD004697152-Amino-5-cyclohexyl-1,3,4-thiadiazole1,3,4-Thiadiazole, 2-amino-5-cyclohexyl-2-Amino-5-cicloesil-1,3,4-tiadiazolo [Italian]2-Amino-5-cicloesil-1,3,4-tiadiazolo5-cyclohexyl-1,3,4-thiadiazole-2-ylamineL 1491BRN 0142171

이름 더 보기

4-티아디아졸,2-아미노-5-시클로헥실-31,3,4-Thiadiazol-2-amine, 5-cyclohexyl-

5-cyclohexyl-2-amino-1,3,4-thiadiazole4-thiadiazole,2-amino-5-cyclohexyl-3Cambridge id 5301331Oprea1_299390Oprea1_8035144-27-00-08089 (Beilstein Handbook Reference)SCHEMBL295296CHEMBL5486112

데이터베이스 식별자

CAS: 56882-77-0
PubChem CID: 732629
DTXSID: DTXSID70205409
ChEMBL: CHEMBL5486112
EC Number: 824-205-7
Nikkaji: J2.351.252A

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 80 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 147

물리화학적 성질

녹는점: 243 · 243-245 °C
끓는 점: 343.8 · 343.8±25.0 °C(Predicted)
밀도: 1.231 · 1.231±0.06 g/cm3(Predicted)
산도 계수 (pKa): 3.73 · 3.73±0.10(Predicted)
물리적 상태: solid
InChI: 1S/C8H13N3S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,11)
InChIKey: BLBDGPFJLDEFFL-UHFFFAOYSA-N
SMILES: NC1=NN=C(C2CCCCC2)S1

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (50%)

안전 데이터

wgk: WGK 3
ridadr: UN 2811 6.1 / PGIII
risk_code: 25
hazard_code: T
safety_code: 45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects