1-[4-(1H-이미다졸-1-일)페닐]메탄아민

4-(Imidazol-1-yl)benzylamine

HCID 14739888

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 65113-25-9
표준 SMILES: NCc1ccc(-n2ccnc2)cc1
InChIKey: MACCCEHTOQDLIP-UHFFFAOYSA-N
분자식: C10H11N3
평균 분자량: 173.21 g/mol
단동위원소 질량: 173.09529736

이름 및 식별자

우선 이름: 4-(Imidazol-1-yl)benzylamine
IUPAC: (4-imidazol-1-ylphenyl)methanamine
현지명: 1-[4-(1H-이미다졸-1-일)페닐]메탄아민
영어명: 1-[4-(1H-Imidazol-1-yl)phenyl]methanamine
분자식: C10H11N3
분자량: 173.21

이름 및 동의어

4-(Imidazol-1-yl)benzylamineRefChem:516205814-099-065113-25-91-[4-(1H-imidazol-1-yl)phenyl]methanamine(4-imidazol-1-ylphenyl)methanamine(4-(1H-imidazol-1-yl)phenyl)methanamine4-(1H-Imidazol-1-yl)benzylamine[4-(1H-imidazol-1-yl)phenyl]methanamineMFCD06213154(4-imidazolylphenyl)methylamineBenzenemethanamine, 4-(1H-imidazol-1-yl)-

이름 더 보기

1-[4-(1H-이미다졸-1-일)페닐]메탄아민[4-(1-imidazolyl)phenyl]methanamine4-(1H-Imidazol-1-yl)benzylamine 95+%4-(1H-Imidazol-1-yl)benzenemethanamine[4-(1H-Imidazol-1-yl)phenyl]methylamine1-[4-(4-methyl-1H-imidazol-1-yl)phenyl]methanamine

P5N4-(1-imidazolyl)-benzylamineSCHEMBL1011668CHEMBL4551219SCHEMBL27606591SCHEMBL27678186DTXSID30563471MACCCEHTOQDLIP-UHFFFAOYSA-N

데이터베이스 식별자

CAS: 65113-25-9
PubChem CID: 14739888
DTXSID: DTXSID30563471
ChEMBL: CHEMBL4551219
EC Number: 814-099-0

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 43.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 152

물리화학적 성질

끓는 점: 345 · 345.0±25.0 °C(Predicted)
밀도: 1.16 · 1.16±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C(protect from light)
물리적 상태: solid
산도 계수 (pKa): 8.84 · 8.84±0.10(Predicted)
InChI: 1S/C10H11N3/c11-7-9-1-3-10(4-2-9)13-6-5-12-8-13/h1-6,8H,7,11H2
InChIKey: MACCCEHTOQDLIP-UHFFFAOYSA-N
SMILES: NCc1ccc(cc1)-n2ccnc2

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): 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, P305+P354+P338, P317, 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.