基本情報
- CAS
36226-32-1- 標準SMILES
NC(=O)NCc1cccnc1- InChIKey
PWHUPFOHNXWYSH-UHFFFAOYSA-N- 分子式
- C7H9N3O
- 平均分子量
- 151.17 g/mol
- 単同位体質量
- 151.07456191
名称と識別子
- 優先名称
- Urea, (3-pyridinylmethyl)-
- IUPAC
- pyridin-3-ylmethylurea
- 現地名
- (3-ピリジニルメチル)尿素
- 英語名
- 1-(3-Pyridylmethyl)urea, 98
- 分子式
- C7H9N3O
- 分子量
- 151.17
名称と別名
36226-32-1Urea, (3-pyridinylmethyl)-(3-Pyridylmethyl)ureaUrea, N-(3-pyridinylmethyl)-1-(3-pyridylmethyl)ureaEINECS 252-928-2DTXSID1067960RefChem:901208DTXCID0039144252-928-2N-(3-pyridinylmethyl)urea1-(pyridin-3-ylmethyl)urea
名称をさらに表示
(3-ピリジニルメチル)尿素N-(3-ピリジニルメチル)尿素(3-pyridinylmethyl)-ure(3-Pyridinylmethyl)urea1-[(Pyridin-3-yl)methyl]urea3-[(Carbamoylamino)methyl]pyridine, 3-(Ureidomethyl)pyridine
pyridin-3-ylmethylurea[(pyridin-3-yl)methyl]urea(pyridin-3-ylmethyl)ureaN-(pyridin-3-ylmethyl)ureaMFCD001342341-(3-PYRIDYLMETHYL)UREA, 983-pyridylmethylureaOprea1_185803
データベース識別子
- CAS
36226-32-1- PubChem CID
- 118929
- DTXSID
DTXSID1067960- ChEMBL
CHEMBL1380001- EC Number
- 252-928-2
- Nikkaji
- J319.614C
物性
構造計算による物性
- XLogP
- -0.6
- 極性表面積
- 68 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 138
物理化学的性質
- 融点
- 181 · 181-183 °C(lit.)
- 沸点
- 321.3 · 321.3±34.0 °C(Predicted)
- 比重(密度)
- 1.208 · 1.208±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 12.99 · 12.99±0.46(Predicted)
- EPAの化学物質情報
- Urea, (3-pyridinylmethyl)- (36226-32-1)
安全と法規制
GHS分類
GHS Classification
Warning
H315 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationUrea, (3-pyridinylmethyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- tsca
- TSCA listed
- hs_code
- 2933399990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
化学と産業
用途と製造
General Manufacturing InformationUrea, N-(3-pyridinylmethyl)-: INACTIVE
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関連反応
2 件
化合物ノート
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