N-Phenylbenzamidine

HCID 200127CAS 1527-91-9

기본 정보

표준 SMILES: NC(=Nc1ccccc1)c1ccccc1
InChIKey: MPYOKHFSBKUKPQ-UHFFFAOYSA-N
분자식: C13H12N2
평균 분자량: 196.25 g/mol
단동위원소 질량: 196.10004839

이름 및 식별자

우선 이름: N-Phenylbenzamidine
IUPAC: N'-phenylbenzenecarboximidamide
영어명: N-PHENYLBENZAMIDINE
분자식: C13H12N2
분자량: 196.25

이름 및 동의어

N-phenylbenzamidineDTXSID80276781RefChem:164112DTXCID80202388633-861-1MPYOKHFSBKUKPQ-UHFFFAOYSA-N1527-91-9N-phenylbenzenecarboximidamideN-PhenylbenzimidamideN'-phenylbenzenecarboximidamideN'-PhenylbenzamidineMFCD00019730

이름 더 보기

SKL033N-phenylbenzylN1-PhenylbenzamidineN-phenylbenzenecarbimidamideN1-PHENYLBENZENE-1-CARBOXIMIDAMIDEPHENYL(PHENYLAMINO)METHYLIDENE]AZANIUM

N-phenyl-benzenecarboximidamideBenzenecarboximidamide, N-phenyl-n2-phenylbenzamidineBenzenecarboximidamide,N-phenyl-F0749-0092NSC38941Maybridge1_004766(iminophenylmethyl)phenylamine

데이터베이스 식별자

CAS: 1527-91-9
PubChem CID: 200127
DTXSID: DTXSID80276781
ChEMBL: CHEMBL1363621
EC Number: 633-861-1
Nikkaji: J3.780.786I、J7.751H

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 38.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 211

실험 및 물리화학적 성질

Solubility>29.4 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 117 °C · 117 °C
끓는 점: 302.1 · 302.1±25.0 °C(Predicted)
밀도: 1.05 · 1.05±0.1 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
산도 계수 (pKa): 8.02 · 8.02±0.50(Predicted)
BRN: 608471 · 608471
InChI: InChI=1S/C13H12N2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H,(H2,14,15)
InChIKey: MPYOKHFSBKUKPQ-UHFFFAOYSA-N
SMILES: C1(C(NC2=CC=CC=C2)=N)=CC=CC=C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]；H400 (97.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 (97.5%)；Aquatic Acute 1 (97.5%)

안전 데이터

HS 번호: 2921599090

화학 및 산업

상·하류 제품 정보

상류 원료

(Z)-N-hydroxy-N'-phenylbenzenecarboximidamide Benzenecarboximidamide, N-methyl-N-phenyl-에틸벤즈이미데이트염산염 벤젠카르복스이미드산메틸에스테르 PHENYL AZIDE 아닐린 아이오도벤젠 페닐시안아미드 벤조니트릴 2-(트리메틸실릴)페닐트리플루오로로메테인설포네이트 나이트로벤젠

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

国药集团化学试剂有限公司86-21-63210123 · [email protected]

上海凛南医药科技有限公司15900633975;13262632028

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

南京翔睿科技有限公司021-021-00000000 15715199582

연결된 노트

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