1-벤질-1H-이미다졸-2-카발데하이드

1-benzyl-1H-imidazole-2-carbaldehyde

HCID 139082CAS 10045-65-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=Cc1nccn1Cc1ccccc1
InChIKey: AKFHFMMKMUJLBU-UHFFFAOYSA-N
분자식: C11H10N2O
평균 분자량: 186.21 g/mol
단동위원소 질량: 186.07931294

이름 및 식별자

우선 이름: 1-benzyl-1H-imidazole-2-carbaldehyde
IUPAC: 1-benzylimidazole-2-carbaldehyde
현지명: 1-벤질-1H-이미다졸-2-카발데하이드
영어명: 1-Benzyl-1H-imidazole-2-carbaldehyde
분자식: C11H10N2O
분자량: 186.21

이름 및 동의어

1-Benzyl-1H-imidazole-2-carbaldehydeRefChem:429744851-455-410045-65-51-benzylimidazole-2-carbaldehyde1H-Imidazole-2-carboxaldehyde, 1-(phenylmethyl)-1-Benzyl-2-formylimidazoleImidazole-2-carboxaldehyde, 1-benzyl-MFCD000886671-Benzylimidazole-2-carboxaldehydeNSC217911SCHEMBL1240881

이름 더 보기

1-벤질-1H-이미다졸-2-카발데하이드1-BENZYL IMIDAZOLE-2-ALDEHYDE1-(benzyl)imidazole-2-carbaldehyde1-Benzyl-1H-imidazol-2-carbaldehyde1-(phenylmethyl)imidazole-2-carbaldehyde1-(phenylmethyl)-2-imidazolecarboxaldehyde1-(Phenylmethyl)-1H-imidazole-2-carboxaldehyde

SCHEMBL81409251-benzyl-2-imidazolecarbaldehydeDTXSID301432971-benzyl imidazole-2-carbaldehydeALBB-015256SBB082321AKOS0026775531-benzyl-1 h-imidazole-2-carbaldehyde

데이터베이스 식별자

CAS: 10045-65-5
PubChem CID: 139082
DTXSID: DTXSID30143297
EC Number: 851-455-4
Nikkaji: J99.524J

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 34.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 190

물리화학적 성질

끓는 점: 128 °C · 128 °C(Press: 4 Torr)
밀도: 1.12 · 1.12±0.1 g/cm3(Predicted)
산도 계수 (pKa): 3.89 · 3.89±0.31(Predicted)
InChI: InChI=1S/C11H10N2O/c14-9-11-12-6-7-13(11)8-10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey: AKFHFMMKMUJLBU-UHFFFAOYSA-N
SMILES: C1(C=O)N(CC2=CC=CC=C2)C=CN=1

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.