이소프로필루레아

Isopropylurea

HCID 12725

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 691-60-1
표준 SMILES: CC(C)NC(N)=O
InChIKey: LZMATGARSSLFMQ-UHFFFAOYSA-N
분자식: C4H10N2O
평균 분자량: 102.14 g/mol
단동위원소 질량: 102.07931295

이름 및 식별자

우선 이름: Isopropylurea
IUPAC: propan-2-ylurea
현지명: 이소프로필루레아
영어명: Isopropylurea
분자식: C4H10N2O
분자량: 102.14

이름 및 동의어

ISOPROPYLUREA1-Isopropylureapropan-2-ylureaUrea, (1-methylethyl)-N-IsopropylureaUrea, isopropyl-(1-Methylethyl)urean-(1-methylethyl)ureaUrea, N-(1-methylethyl)-EINECS 211-722-2NSC 14349BRN 1743048

이름 더 보기

이소프로필루레아TB-2124isopropyl-urelsopropyl Urea1-propan-2-ylurea

3G2GT415DHAI3-52666NSC-14349UNII-3G2GT415DHDTXSID80610024-04-00-00521 (Beilstein Handbook Reference)RefChem:149868DTXCID3046455

데이터베이스 식별자

CAS: 691-60-1
PubChem CID: 12725
DTXSID: DTXSID8061002
UNII: 3G2GT415DH
EC Number: 211-722-2
Nikkaji: J206.004C

물성

구조 계산 물성

XLogP: -0.2
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 70

물리화학적 성질

녹는점: 154.25 °C · 154.25°C
끓는 점: 191.46 °C · 191.46°C (rough estimate)
밀도: 1.0739 · 1.0739 (rough estimate)
굴절률: 1.4386 · 1.4386 (estimate)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 14.08 · 14.08±0.46(Predicted)
InChI: InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
InChIKey: LZMATGARSSLFMQ-UHFFFAOYSA-N
SMILES: N(C(C)C)C(N)=O
EPA: Urea, (1-methylethyl)- (691-60-1)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): 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]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.；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 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

안전 데이터

tsca: TSCA listed
HS 번호: 2924190090

화학 및 산업

용도 및 제조

General Manufacturing InformationUrea, N-(1-methylethyl)-: ACTIVE

응용 분야

용도Isopropylurea, can be used in the synthesis of ymmetrical and unsymmetrical urea analogues having H+/K+-ATPase and anti-inflammatory activities in vitro.