2,4-Diaminopyrimidine 分子结构式
HCID67431

2,4-Diaminopyrimidine

pyrimidine-2,4-diamine

C4H6N4110.12 g/molCAS 156-81-0

IDENTITY

结构与身份

标准SMILES
Nc1ccnc(N)n1
InChIKey
YAAWASYJIRZXSZ-UHFFFAOYSA-N
分子式
C4H6N4
平均分子量
110.12 g/mol
单同位素质量
110.05924621

COMPUTED

结构计算性质

已同步
XLogP
-0.5
极性表面积
77.8 Ų
氢键供体
2
氢键受体
4
可旋转键
0
重原子
8
形式电荷
0
复杂度
74

GHS

GHS分类

来源:PubChem
GHS Classification

Warning

H315 (95.6%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (95.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (93.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Hazard Classes and Categories

Skin Irrit. 2 (95.6%);Eye Irrit. 2 (95.6%);STOT SE 3 (93.3%)

ALIASES

名称与别名

共 63 条
2,4-Diaminopyrimidine156-81-02,4-PyrimidinediaminePyrimidine, 2,4-diamino-L5ZY0JJP5JDTXSID70166021NSC-30856RefChem:443187DTXCID3088512205-862-3PYRIMIDINE-2,4-DIAMINEDiaminopyrimidineMFCD00038023Pyrimidine-2,4-diyldiamine2,4-diamino-pyrimidine2,6-DiaminopyrimidineLG3cytosine imine8-azacytosineEINECS 205-862-3

REACTIONS

参与反应

23
HRID 4445 反应方程式

uspto-grants-1988_02 · 10.6084/m9.figshare.5104873.v1 · US04725687

查看
HRID 204416 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看
HRID 252019 反应方程式

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07868013B2

查看
HRID 289367 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看
HRID 331113 反应方程式

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877769B2

查看
HRID 505836 反应方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781581B2

查看
HRID 505840 反应方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07781581B2

查看
HRID 556232 反应方程式

uspto-grants-2011_11 · 10.6084/m9.figshare.5104873.v1 · US08057868B2

查看