2,2-Dimethylpropanehydrazide

HCID 545147CAS 42826-42-6

기본 정보

표준 SMILES: CC(C)(C)C(=O)NN
InChIKey: OARJXUPBZNUYBG-UHFFFAOYSA-N
분자식: C5H12N2O
평균 분자량: 116.16 g/mol
단동위원소 질량: 116.094963

이름 및 식별자

우선 이름: 2,2-Dimethylpropanehydrazide
IUPAC: 2,2-dimethylpropanehydrazide
영어명: 2,2-Dimethylpropionic acid hydrazide
분자식: C5H12N2O
분자량: 116.16

이름 및 동의어

2,2-dimethylpropanehydrazideRefChem:441459610-065-22,2-Dimethylpropionic acid hydrazide42826-42-6PivalohydrazidePIVALIC ACID HYDRAZIDE2,2-DimethylpropanohydrazidePivaloylhydrazineMFCD01310839Pivalic acid, hydrazidetert-Pentanoic acid hydrazide

이름 더 보기

RARECHEM AQ A3 0101Pvalic acid hydrazidepivalinic acid hydrazidePivaloyl hydrazide, 98+%Pivaloyl hydrazide, 98+% 5GR

2,2-DimethylpropanoylhydrazinePivaloyl Hydrazide2,2-DimethylpropionicacidhydrazideTrimethylacethydrazide2,2-Dimethyl-propionic acid hydrazidetrimethylacetic hydrazidePropanoic acid, 2,2-dimethyl-, hydrazideSCHEMBL168766

데이터베이스 식별자

CAS: 42826-42-6
PubChem CID: 545147
DTXSID: DTXSID80337861
EC Number: 610-065-2
Nikkaji: J860.783D

물성

구조 계산 물성

XLogP: 0.2
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 93.1

실험 및 물리화학적 성질

LogP-0.35

물리화학적 성질

녹는점: 65 · 65-67 °C
끓는 점: 95 · 95-110 °C (0.7501 mmHg)
밀도: 0.962 · 0.962±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
산도 계수 (pKa): 13.46 · 13.46±0.50(Predicted)
물리적 상태: 크리스탈
색상: 하얀색
InChI: 1S/C5H12N2O/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
InChIKey: OARJXUPBZNUYBG-UHFFFAOYSA-N
SMILES: CC(C)(C)C(=O)NN

화학적 성질

White crystals

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (93%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (93%)

안전 데이터

wgk: WGK 3
HS 번호: 29280090
risk_code: 44-36/37/38-22-11-25
hazard_code: Xn-F,T
safety_code: 37/39-26-16-45
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