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Homopiperazine

Homopiperazine structure

CAS No:
505-66-8
Formula:
C5H12N2
Chemical Name:
Homopiperazine
Synonyms:
1H-1,4-Diazepine,hexahydro-;Hexahydro-1H-1,4-diazepine;1,4-Diazacycloheptane;Hexahydro-1,4-diazepine;Homopiperazine;Trimethyleneethylenediamine;Perhydro-1,4-diazepine
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

white to light yellow crystalline mass

Homopiperazine Basic Attributes

Molecular Weight：

100.16

Exact Mass：

100.16

BRN：

102711

EC Number：

208-016-1

UNII：

95CL167W8T

DSSTox ID：

DTXSID1060130

HScode：

2933990090

Characteristics

PSA：

24.1

XLogP3：

-0.5

Appearance：

White to light yellow Crystalline Mass

Density：

0.95

Melting Point：

42 °C

Boiling Point：

168-170 °C

Flash Point：

148 °F

Refractive Index：

1.425

Water Solubility：

Soluble in water.

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

UN 3259 8/PG 2

wgk germany：

hazard class code：

21-34

safety instructions：

26-36/37/39-45-27

RTECS Number：

HM3850000

Marks：

C,Xi

Hazard note：

Irritant/Corrosive

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H311-H314

Drug Information

MeSH Entry Terms：

1,4-diazepane

Homopiperazine Use and Manufacturing

Uses

pharmaceutical intermediate

Manufacturing Info：

1H-1,4-Diazepine, hexahydro-: ACTIVE

Computed Properties

Molecular Weight:100.16
XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:100.100048391
Monoisotopic Mass:100.100048391
Topological Polar Surface Area:24.1
Heavy Atom Count:7
Complexity:39.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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