5-アミノ-2-メチル-2H-テトラゾール

2-methyl-2H-1,2,3,4-tetrazol-5-amine

HCID 138677CAS 6154-04-7

部分構造検索類似構造を探す

基本情報

標準SMILES: Cn1nnc(N)n1
InChIKey: AZUKLCJYWVMPML-UHFFFAOYSA-N
分子式: C2H5N5
平均分子量: 99.1 g/mol
単同位体質量: 99.05449516

名称と識別子

優先名称: 2-methyl-2H-1,2,3,4-tetrazol-5-amine
IUPAC: 2-methyltetrazol-5-amine
現地名: 5-アミノ-2-メチル-2H-テトラゾール
英語名: 5-Amino-2-methyl-2H-tetrazole
分子式: C2H5N5
分子量: 99.09

名称と別名

2-methyl-2h-1,2,3,4-tetrazol-5-amineRefChem:475241612-169-35-Amino-2-methyl-2H-tetrazole6154-04-72-methyl-2H-tetrazol-5-amine2-methyltetrazol-5-amine5-Amino-2-methyltetrazole2H-Tetrazol-5-amine, 2-methyl-2-Methyl-5-aminotetrazoleMFCD018198312H-Tetrazole, 5-amino-2-methyl-

名称をさらに表示

5-アミノ-2-メチル-2H-テトラゾール2-METHYL-2H-TETRAZOLE-5-AMINO1553840TIMTEC-BB SBB001742RARECHEM AQ NN 04632-methyl-5-aminotrazoltetrazole,5-amino-2-methyl-

69YEK2LM2MNSC-1410152-Methyl-5-Amino-2H-Tetrazole2-Methyl-5-Amino-1h-Tetrazole2-methyl-1,2,3,4-tetraazole-5-ylamine2-Methyl-5-tetrazolamine2-Methyl-2H-tetrazol-5-ylamineNSC141015

データベース識別子

CAS: 6154-04-7
PubChem CID: 138677
DTXSID: DTXSID60210527
UNII: 69YEK2LM2M
EC Number: 612-169-3
Nikkaji: J589.361E、J589.374G

物性

構造計算による物性

XLogP: -0.2
極性表面積: 69.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 0
重原子数: 7
形式電荷: 0
複雑度: 63.1

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point

物理化学的性質

融点: 104.5 · 104.5-105.5 °C
沸点: 282.9 · 282.9±23.0 °C(Predicted)
比重(密度): 1.75 · 1.75±0.1 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
酸解離定数(Pka): 2.43 · 2.43±0.10(Predicted)
InChI: InChI=1S/C2H5N5/c1-7-5-2(3)4-6-7/h1H3,(H2,3,5)
InChIKey: AZUKLCJYWVMPML-UHFFFAOYSA-N
SMILES: N1=C(N)N=NN1C
CAS データベース: 6154 · 6154-04-7(CAS DataBase Reference)
NISTの化学物質情報: 5 · 5-Amino-2-methyl-2H-tetrazole(6154-04-7)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H228 (50%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, 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.