3-아미노-5,5-다이메틸-2-사이클로헥센-1-원

3-Amino-5,5-dimethyl-2-cyclohexen-1-one

HCID 136680CAS 873-95-0

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC1(C)CC(=O)C=C(N)C1
InChIKey: MTZNODTZOSBYJW-UHFFFAOYSA-N
분자식: C8H13NO
평균 분자량: 139.19 g/mol
단동위원소 질량: 139.09971404

이름 및 식별자

우선 이름: 3-Amino-5,5-dimethyl-2-cyclohexen-1-one
IUPAC: 3-amino-5,5-dimethylcyclohex-2-en-1-one
현지명: 3-아미노-5,5-다이메틸-2-사이클로헥센-1-원
영어명: 3-Amino-5,5-dimethyl-2-cyclohexen-1-one
분자식: C8H13NO
분자량: 139.19

이름 및 동의어

873-95-03-Amino-5,5-dimethyl-2-cyclohexen-1-oneRefChem:497319620-918-03-amino-5,5-dimethylcyclohex-2-enone3-amino-5,5-dimethylcyclohex-2-en-1-oneMFCD000455315,5-Dimethyl-3-aminocyclohex-2-enone2-Cyclohexenone, 3-amino-5,5-dimethyl-Oprea1_593220SCHEMBL111923HMS1788H01

이름 더 보기

3-아미노-5,5-다이메틸-2-사이클로헥센-1-원1-Amino-5,5-dimethylcyclohexene-3-one3-AMINO 5,5-DIMETHYL- CYCLOHEX-2-ENONE3-azanyl-5,5-dimethyl-cyclohex-2-en-1-one2-Cyclohexen-1-one, 3-amino-5,5-dimethyl-3-Amino-5,5-dimethyl-2-cyclohexen-1-one >

STK727367NSC-1763451-amino- 5,5-dimethylcyclohexen-3-one1-amino- 5,5-dimethyl-cyclohexen-3-oneSY0507973-Amino-5,5-dimethyl-2-cyclohexene-1-oneA1300Z57154079

데이터베이스 식별자

CAS: 873-95-0
PubChem CID: 136680
DTXSID: DTXSID70236278
ChEMBL: CHEMBL1958268
EC Number: 620-918-0
Nikkaji: J339.231G

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 43.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 10
형식 전하: 0
복잡도: 191

물리화학적 성질

녹는점: 165 · 165-167
끓는 점: 216.3 · 216.3±30.0 °C(Predicted)
밀도: 0.992 · 0.992±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 5.68 · 5.68±0.40(Predicted)
물리적 상태: powder to crystalline
색상: White to Amber

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.