3-(Dimethylaminomethyl)-7-azaindole

HCID 5383549

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5654-92-2
표준 SMILES: CN(C)Cc1c[nH]c2ncccc12
InChIKey: RFLCFQLBXWLHKX-UHFFFAOYSA-N
분자식: C10H13N3
평균 분자량: 175.23 g/mol
단동위원소 질량: 175.11094742

이름 및 식별자

우선 이름: 3-(Dimethylaminomethyl)-7-azaindole
IUPAC: N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
영어명: 1-(2,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-yl)-N,N-dimethyl-methanamine
분자식: C10H13N3
분자량: 175.23

이름 및 동의어

3-(Dimethylaminomethyl)-7-azaindoleRefChem:495082623-496-65654-92-27-azagramineN,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamineN,N-dimethyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamineMFCD01580034dimethyl({1H-pyrrolo[2,3-b]pyridin-3-ylmethyl})amineSCHEMBL46562CS-B0513dimethyl({1H-pyrrolo[2,3-b]pyridin-3-yl}methyl)amine

이름 더 보기

3-[(DiMethylaMino)Methyl]-1H-Pyrrolo[2,3-b]pyridineN,N-DiMethyl-1H-pyrrolo[2,3-b]pyridine-3-MethanaMine1H-Pyrrolo[2,3-b]pyridine-3-methanamine, N,N-dimethyl-7-Azagramine, 3-(Dimethylaminomethyl)-1H-pyrrolo[2,3-b]pyridine, Dimethyl-(1H-pyrrolo[2,3-b]-3-pyridinylmethyl)amine

N,N-Dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-methanamine1-(2,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-yl)-N,N-dimethyl-methanamine3-dimethylaminomethyl- 1H-pyrrolo[2,3-b]pyridinedimethyl-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-amineDIMETHYL-(1H-PYRROLO[2,3-B]-3-PYRIDINYLMETHYL)AMINENSC173968SCHEMBL27081663DTXSID10419386

데이터베이스 식별자

CAS: 5654-92-2
PubChem CID: 5383549
DTXSID: DTXSID10419386
EC Number: 623-496-6
Nikkaji: J3.782.663D

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 31.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 13
형식 전하: 0
복잡도: 170

물리화학적 성질

녹는점: 144 · 144-149 °C
끓는 점: 361.5 · 361.5±34.0 °C(Predicted)
밀도: 1.13 · 1.13±0.1 g/cm3(Predicted)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.14 · 9.14±0.28(Predicted)
색상: 연한 노란색에서 노란색까지
InChI: InChI=1S/C10H13N3/c1-13(2)7-8-6-12-10-9(8)4-3-5-11-10/h3-6H,7H2,1-2H3,(H,11,12)
InChIKey: RFLCFQLBXWLHKX-UHFFFAOYSA-N
SMILES: C12NC=C(CN(C)C)C1=CC=CN=2

화학적 성질

Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.