基本情報
- CAS
542-02-9- 標準SMILES
Cc1nc(N)nc(N)n1- InChIKey
NJYZCEFQAIUHSD-UHFFFAOYSA-N- 分子式
- C4H7N5
- 平均分子量
- 125.13 g/mol
- 単同位体質量
- 125.07014524
概要
Acetoguanamine is a diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine carrying an additional methyl substituent at position 6.
名称と識別子
- 優先名称
- Acetoguanamine
- IUPAC
- 6-methyl-1,3,5-triazine-2,4-diamine
- 現地名
- 2,4-ジアミノ-6-メチル-1,3,5-トリアジン
- 英語名
- 6-Methyl-1,3,5-triazine-2,4-diamine
- 分子式
- C4H7N5
- 分子量
- 125.13
名称と別名
6-Methyl-1,3,5-triazine-2,4-diamine542-02-9Acetoguanamine2,4-Diamino-6-methyl-1,3,5-triazine1,3,5-Triazine-2,4-diamine, 6-methyl-2-Methyl-4,6-diamino-1,3,5-triazine2,4-DIAMINO-6-METHYL-S-TRIAZINEENT 507156-Methyl-1,3,5-triazine-2,4-diyldiamines-Triazine, 2,4-diamino-6-methyl-NSC 257AX41T8ULB3
名称をさらに表示
2,4-ジアミノ-6-メチル-1,3,5-トリアジン6-メチル-s-トリアジン-2,4-ジアミン4-メチル-2,6-ジアミノ-1,3,5-トリアジンアセトグアナミン6-メチル-1,3,5-トリアジン-2,4-ジアミン2,4-ジアミノ-6-メチル-s-トリアジン2,4-ジアミノ-6-メチル-1,3,5-トリアゾール アセトグアナミンAceto-guanamine monomer6-Methyl-s-triazine-2,4-diamine2,4-amino-6-methyl-1,3,5-triazine5-triazine-2,4-diamine,6-methyl-34-Methyl-2,6-diamino-1,3,5-triazine3,5-Triazine-2,4-diamine,6-methyl-1
DTXSID50291866-METHYLGUANAMINENSC-257EINECS 208-796-3CCRIS 8909DTXCID909186AI3-50715DIAMINO-6-METHYL-1,3,5-TRIAZINE, 2,4-
物性
構造計算による物性
- XLogP
- -0.3
- 極性表面積
- 90.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 0
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 85
実験および物理化学的性質
SpringerMaterials PropertiesChemical shift
Physical DescriptionDry Powder
物理化学的性質
- 融点
- 274 · 274-276 °C(lit.)
- 沸点
- 443 · 443.0±28.0 °C(Predicted)
- 比重(密度)
- 1.391 · 1.391±0.06 g/cm3(Predicted)
- 蒸気圧
- 1.2 Pa · 1.2Pa at 25℃
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- DMSO（微量）、メタノール（微量、加温）
- 外見
- 個体
- 酸解離定数(Pka)
- 4.49 · 4.49±0.10(Predicted)
- 色
- ホワイトからオフホワイト
- 水溶解度
- 11.2 g/L · 11.2g/L at 20℃
- BRN
- 118348 · 118348
- 安定性
- 安定。酸化剤、酸とは相容れない。
- InChI
- 1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9)
- InChIKey
- NJYZCEFQAIUHSD-UHFFFAOYSA-N
- SMILES
- Cc1nc(N)nc(N)n1
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 6.1% (3 of 49) of reports.
Warning
H315 (93.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1,3,5-Triazine-2,4-diamine, 6-methyl-
1,3,5-Triazine-2,4-diamine, 6-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3,5-Triazine-2,4-diamine, 6-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 6-methyl-1,3,5-triazine-2,4-diyldiamine (EC: 208-796-3)
1,3,5-Triazine-2,4-diamine, 6-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (93.9%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- hs_code
- 29339900
- risk_code
- 36/37/38
- 化審法
- (5)-1026
- hazard_code
- Xi
- safety_code
- 26-36
化学と産業
用途と製造
U.S. Production2023: 364,405 lb
General Manufacturing Information1,3,5-Triazine-2,4-diamine, 6-methyl-: ACTIVE
応用分野
用途アセトグアナミンはメラミン改質剤として使用されています。
使用6-Methyl-1,3,5-triazine-2,4-diamine may be used in the synthesis of s-Bodipy-triazine (BODIPY = 4,4-difluoro-4-borata-3a-azonia-4a-aza-s-indacene). It is a symmetric fluorescent sensor for Cu2+.
一般的な説明6-Methyl-1,3,5-triazine-2,4-diamine butane-1,4-diol monosolvate crystallizes with 6-methyl-1,3,5-triazine-2,4-diamine (DMT) and a molecule of butane-1,4-diol in the asymmetric unit. The DMT molecules form ribbons having centrosymmetric dimer motifs between DMT molecules along the c-axis. DMT and thymine forms a new metastable bicomponent hydrogel, which cage a number of organic solvents.
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化合物ノート
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