Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1)

HCID 2781880

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 18202-73-8
표준 SMILES: CC(C)(C)C(=N)N.Cl
InChIKey: ARDGQYVTLGUJII-UHFFFAOYSA-N
분자식: C5H13ClN2
평균 분자량: 136.62 g/mol
단동위원소 질량: 136.0767261

이름 및 식별자

우선 이름: Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1)
IUPAC: 2,2-dimethylpropanimidamide;hydrochloride
영어명: tert-Butylcarbamidine hydrochloride
분자식: C5H13ClN2
분자량: 136.62

이름 및 동의어

18202-73-8Propanimidamide, 2,2-dimethyl-, hydrochloride (1:1)RefChem:1096764Pivalimidamide hydrochloride2,2-dimethylpropanimidamide HydrochlorideMFCD00051988TERT-BUTYLCARBAMIDINE HYDROCHLORIDEPIVALIMIDAMIDE HCL2,2-dimethylpropanimidamide;hydrochlorideSCHEMBL1842852,2,2-TRIMETHYLACETAMIDINE HYDROCHLORIDE(1-amino-2,2-dimethylpropylidene)azanium;chloride

이름 더 보기

pivalamidine hydrochloridetert-ButylcarbamidineHClPivalamidineHydrochloride>2,2-DIMETHYLPROPIONAMIDINE HCL2,2-Dimethylpropanimidamide HCltrimethylacetamidine hydrochloride2-Methylisobutanamidine hydrochloride

NSC297167NSC-297167T-BUTYLCARBAMIDINE HYDROCHLORIDE2,2-Dimethylpropionamidine HydrochlorideP17612,2-Dimethylpropanamidine hydrochloridePivalimidamidehydrochloridePropanimidamide, 2,2-dimethyl-, monohydrochloride

데이터베이스 식별자

CAS: 18202-73-8
PubChem CID: 2781880
DTXSID: DTXSID50939518
EC Number: 242-091-1

물성

구조 계산 물성

극성 표면적: 49.9 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 78.6

물리화학적 성질

녹는점: 190 °C · 190 °C
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: powder to crystal
색상: 흰색에서 거의 흰색
BRN: 3618865 · 3618865
InChIKey: ARDGQYVTLGUJII-UHFFFAOYSA-N

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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)

Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

안전 데이터

HS 번호: 2921199990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 등급: IRRITANT

화학 및 산업

응용 분야

용도Pivalimidamide Hydrochloride is used as a reagent in the preparation of 2-alkyl-4-aryltetrahydropyridopyrimidines and 2-alkyl-4-aryl-tetrahydropyrimidoazepines as selective 5-HT2A antagonists.