结构:CC1=NCCC1
HCID70103

2-Methyl-1-pyrroline

5-methyl-3,4-dihydro-2H-pyrrole

C5H9N83.13 g/molCAS 872-32-2

IDENTITY

结构与身份

标准 SMILES
CC1=NCCC1
InChIKey
CTSZPNIMMLSKDV-UHFFFAOYSA-N
分子式
C5H9N
平均分子量
83.13 g/mol
单同位素质量
83.07349929

COMPUTED

结构计算性质

已同步
XLogP
0
极性表面积
12.4 Ų
氢键供体
0
氢键受体
1
可旋转键
0
重原子
6
形式电荷
0
复杂度
74

GHS

GHS 分类

来源:PubChem
GHS Classification

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids];H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (91.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (91.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 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

Flam. Liq. 2 (100%);Skin Irrit. 2 (91.1%);Eye Irrit. 2 (91.1%);STOT SE 3 (91.1%)

ALIASES

名称与别名

31
2-Methyl-1-pyrroline5-methyl-3,4-dihydro-2H-pyrrole3,4-Dihydro-5-methyl-2H-pyrroleEINECS 212-822-9PUN2A487KLCHEBI:78856DTXSID302361734,5-DIHYDRO-2-METHYL-3H-PYRROLERefChem:88014DTXCID30158664InChI=1/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H872-32-2MFCD001288062H-pyrrole, 3,4-dihydro-5-methyl-3,4-Dihydro-5-methyl-2H-pyrrole;2-Methyl-1-pyrroline;2-Methyl-delta1-pyrroline;4,5-Dihydro-2-methyl-3H-pyrrole;5-Methyl-3,4-dihydro-2H-pyrrole;UNII-PUN2A487KLSCHEMBL648552-Methyl-1-pyrroline, 95%orb1944090orb2900409

REACTIONS

参与反应

6