3-(ジメチルアミノメチル)-7-アザインドール

3-(Dimethylaminomethyl)-7-azaindole

HCID 5383549

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 5654-92-2
標準SMILES: CN(C)Cc1c[nH]c2ncccc12
InChIKey: RFLCFQLBXWLHKX-UHFFFAOYSA-N
分子式: C10H13N3
平均分子量: 175.23 g/mol
単同位体質量: 175.11094742

名称と識別子

優先名称: 3-(Dimethylaminomethyl)-7-azaindole
IUPAC: N,N-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanamine
現地名: 3-(ジメチルアミノメチル)-7-アザインドール
英語名: 1-(2,9-diazabicyclo[4.3.0]nona-2,4,7,10-tetraen-7-yl)-N,N-dimethyl-methanamine
分子式: C10H13N3
分子量: 175.23

名称と別名

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

名称をさらに表示

3-(ジメチルアミノメチル)-7-アザインドールN,N-ジメチル-1-(1H-ピロロ[2,3-B]ピリジン-3-イル)メタンアミン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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.1
極性表面積: 31.9 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 2
重原子数: 13
形式電荷: 0
複雑度: 170

物理化学的性質

融点: 144 · 144-149 °C
沸点: 361.5 · 361.5±34.0 °C(Predicted)
比重(密度): 1.13 · 1.13±0.1 g/cm3(Predicted)
貯蔵温度: 2 · Sealed in dry,2-8°C
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: Solid
酸解離定数(Pka): 9.14 · 9.14±0.28(Predicted)
色: Pale Yellow to Yellow
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

化学的性質

化学的特性Yellow Solid

安全と法規制

GHS分類

GHS Classification · 4 件

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.