基本情報
- CAS
118352-39-9- 標準SMILES
N=c1cccc(N)[nH]1- InChIKey
VHNQIURBCCNWDN-UHFFFAOYSA-N- 分子式
- C5H7N3
- 平均分子量
- 109.13 g/mol
概要
structure in first source
名称と識別子
- 優先名称
- 2,6-Diaminopyridine
- IUPAC
- pyridine-2,6-diamine
- 英語名
- 2-Pyridinamine,1,6-dihydro-6-imino-,(Z)-(9CI)
- 分子式
- C5H7N3
- 分子量
- 109.13
名称と別名
2,6-Diaminopyridine141-86-6pyridine-2,6-diamine2,6-pyridinediaminepyridine, 2,6-diamino-DAP (amine)DTXSID0040127NSC-1921K89AB8CKG6RODOL 26PYRDTXCID8020127RefChem:83122
名称をさらに表示
2-Pyridinamine,1,6-dihydro-6-imino-,(Z)-(9CI)
CHEBI:51598205-507-2Diaminopyridinepyridine-2,6-diyldiamineMFCD00006329NSC 19212,6-Diamino pyridine118352-40-2
データベース識別子
- CAS
118352-39-9- ChEMBL
CHEMBL339234- UNII
- K89AB8CKG6
- EC Number
- 205-507-2
- Nikkaji
- J38.340F
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 64.9 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 66.1
実験および物理化学的性質
Chemical ClassesNitrogen Compounds -> Pyridines
CosmeticsHair dyeing
Boiling Point285 °C @760 [mm Hg]
Physical DescriptionSlightly brown solid; [EC: SCCS - Opinion] Light brown, yellow, or off-white powder or flakes; [Alfa Aesar MSDS]
Ionization Efficiency
Positive
3.05
1.9
Agilent XCT
Electrospray ionization
trifluoroacetic acid (10.4nM)
Collision Cross Section119.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0040127]
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
Danger
H301 (99%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 103 reports by companies from 19 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: 2,6-Pyridinediamine
2,6-Diaminopyridine: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
One report of occupational contact dermatitis in the pharmaceutical industry; [NTP] A strong sensitizer based on the mouse local lymph node assay (LLNA); Oral LD50 (rat) = 50-300 mg/kg; A 90-day oral study of rats demonstrated the erythrocytes, spleen, kidney, and liver as target organs of toxicity (most changes recovering after 4-week recovery period); Developmental toxicity (decreased fetal and placental weights and incomplete thoracic vertebrae ossification) but no teratogenicity observed in oral study of rats in the presence of maternal toxicity; [EC: SCCS - Opinion] An irritant; Toxic by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (99%)
安全と保護具
Protective Action Criteria (PAC)
0.33 [mg/m3]
3.6 [mg/m3]
22 [mg/m3]
毒性情報
化学と産業
用途と製造
Uses
Used in oxidative hair dyes; [EC: SCCS - Opinion] Used as an intermediate for pharmaceuticals and polyamides, epoxy curing agent, and coupler in hair dyes; [NTP]
Plastic Composites Manufacturing [Category: Industry]
Use ClassificationCosmetics -> Hair dyeing
General Manufacturing Information2,6-Pyridinediamine: ACTIVE
サプライヤー1 社
CHEMSTEP[email protected]
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