creatinine

HCID 588CAS 60-27-5

기본 정보

표준 SMILES: CN1CC(=O)N=C1N
InChIKey: DDRJAANPRJIHGJ-UHFFFAOYSA-N
분자식: C4H7N3O
평균 분자량: 113.12 g/mol

개요

Creatinine is a lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine. It has a role as a diagnostic agent and a human metabolite. It is a lactam and an imidazolidinone. It is functionally related to a creatine.

이름 및 식별자

우선 이름: creatinine
IUPAC: 2-amino-3-methyl-4H-imidazol-5-one

이름 및 동의어

2-Imino-1-methylimidazolidin-4-one1-Methylglycocyamidine1-Methylhydantoin-2-imideKreatininCreatinine,heatedKreatininum2-amino-1-methylimidazolin-4-one2-amino-3-methyl-4H-imidazol-5-one2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-creatininaNSC-13123

이름 더 보기

AYI8EX34EU2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-oneCHEMBL65567CHEBI:16737NSC-760435CREATININE (II)CREATININE [II]IMIDAZOLIDIN-4-ONE, 2-IMINO-1-METHYL

데이터베이스 식별자

CAS: 60-27-5
PubChem CID: 588
ChEMBL: CHEMBL65567
ChEBI: CHEBI:16737
UNII: AYI8EX34EU
EC Number: 200-466-7

물성

구조 계산 물성

XLogP: -1.8
극성 표면적: 58.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 151

실험 및 물리화학적 성질

Chemical ClassesBiological Agents -> Other Biomolecules

CosmeticsSkin conditioning

LogP-1.76

Solubility80.1 mg/mL at 16 °C

Melting Point303 °C (decomposes)

Vapor Pressure0.000217 [mmHg]

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 60% (6 of 10) of all reports.

Warning

H315 (40%): 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 10 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-

Status: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/16337

Creatinine: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment

Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (40%)

화학 및 산업

약리 정보

Tissue LocationsAdipose Tissue

Cellular LocationsCytoplasm

용도 및 제조

UsesUsed as a bulking agent for freeze drying; [ChemIDplus] Final metabolic product of creatine that is found in all bodily fluids; Used in determination of renal function; [Merck Index]

Use ClassificationCosmetics -> Skin conditioning

General Manufacturing Information4H-Imidazol-4-one, 2-amino-1,5-dihydro-1-methyl-: ACTIVE