Benzenemethanaminium, N,N-bis[3-(formylamino)propyl]-4-methoxy-N-methyl-3-nitro-, chloride (1:1)

HCID 100848CAS 58795-54-3

기본 정보

표준 SMILES
COc1ccc(C[N+](C)(CCCNC=O)CCCNC=O)cc1[N+](=O)[O-].[Cl-]
InChIKey
HIFAZIVOMHDTBX-UHFFFAOYSA-N
분자식
C17H27ClN4O5
평균 분자량
402.9 g/mol
단동위원소 질량
402.1669977

이름 및 식별자

우선 이름
Benzenemethanaminium, N,N-bis[3-(formylamino)propyl]-4-methoxy-N-methyl-3-nitro-, chloride (1:1)
IUPAC
bis(3-formamidopropyl)-[(4-methoxy-3-nitrophenyl)methyl]-methylazanium chloride

이름 및 동의어

58795-54-3EINECS 261-447-7DTXSID40886289Benzenemethanaminium, N,N-bis(3-(formylamino)propyl)-4-methoxy-N-methyl-3-nitro-, chlorideBenzenemethanaminium, N,N-bis(3-(formylamino)propyl)-4-methoxy-N-methyl-3-nitro-, chloride (1:1)Benzenemethanaminium, N,N-bis[3-(formylamino)propyl]-4-methoxy-N-methyl-3-nitro-, chlorideBenzenemethanaminium, N,N-bis[3-(formylamino)propyl]-4-methoxy-N-methyl-3-nitro-, chloride (1:1)RefChem:117630DTXCID001025623SCHEMBL11449207Bis(3-(formylamino)propyl)(4-methoxy-3-nitrobenzyl)methylammonium chlorideDB-318808
이름 더 보기
NS00053027Bis[3-(formylamino)propyl ](4-methoxy-3-nitrobenzyl)methylammonium chlorideN-methyl-N-(3-nitro-4-methoxybenzyl)-N,N-bis(3-formamidopropyl)ammonium chloride3-Formamido-N-(3-formamidopropyl)-N-[(4-methoxy-3-nitrophenyl)methyl]-N-methylpropan-1-aminium chloride

데이터베이스 식별자

CAS
58795-54-3
PubChem CID
100848
DTXSID
DTXSID40886289
EC Number
261-447-7

물성

구조 계산 물성

극성 표면적
113 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
11
무거운 원자 수
27

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzenemethanaminium, N,N-bis[3-(formylamino)propyl]-4-methoxy-N-methyl-3-nitro-, chloride (1:1): INACTIVE

관련 반응

6건

연결된 노트

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