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1,5-Diazabicyclo[4.3.0]non-5-ene

1,5-Diazabicyclo[4.3.0]non-5-ene structure

CAS No:
3001-72-7
Formula:
C7H12N2
Chemical Name:
1,5-Diazabicyclo[4.3.0]non-5-ene
Synonyms:
Pyrrolo[1,2-a]pyrimidine,2,3,4,6,7,8-hexahydro-;2,3,4,6,7,8-Hexahydropyrrolo[1,2-a]pyrimidine;DBN;DBN (heterocycle);1,5-Diazabicyclo[4.3.0]non-5-ene;1,5-Diazobicyclo[4.3.0]non-5-ene;NSC 118106;NBU;1,5-Diazabicyclo[4.3.0]nonene-5;D 1313;WS-A 201;2H,3H,4H,6H,7H,8H-Pyrrolo[1,2-a]pyrimidine;25986-32-7;312727-86-9;2000224-92-8;2173149-14-7
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

clear colorless to yellowish liquid

1,5-Diazabicyclo[4.3.0]non-5-ene Basic Attributes

Molecular Weight：

124.18

Exact Mass：

124.18

EC Number：

221-087-3

UNII：

978M4OL12Q

NSC Number：

118106

DSSTox ID：

DTXSID10184087

HScode：

2933990090

Characteristics

PSA：

15.6

XLogP3：

-0.2

Density：

1.2±0.1 g/cm3

Boiling Point：

97-99 °C @ Press: 11 Torr

Flash Point：

94.4±0.0 °C

Refractive Index：

1.628

Water Solubility：

soluble

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

3267

wgk germany：

hazard class code：

safety instructions：

S26-S36/37/39-S45

Marks：

C:Corrosive;

Drug Information

MeSH Entry Terms：

1,5-diazabicyclo(4.3.0)non-5-ene

Computed Properties

Molecular Weight:124.18
XLogP3:-0.2
Hydrogen Bond Acceptor Count:1
Exact Mass:124.100048391
Monoisotopic Mass:124.100048391
Topological Polar Surface Area:15.6
Heavy Atom Count:9
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1,2-Dichloroethane

2-Pyrrolidone

Oxalyl chloride

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Guide of 1,5-Diazabicyclo[4.3.0]non-5-ene

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
Material
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1,5-Diazabicyclo[4.3.0]non-5-ene

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