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Acetylcadaverine

Acetylcadaverine structure

CAS No:
32343-73-0
Formula:
C7H16N2O
Chemical Name:
Acetylcadaverine
Synonyms:
Acetamide,N-(5-aminopentyl)-;N-(5-Aminopentyl)acetamide;Monoacetyl cadaverine;N-Acetylcadaverine;Acetylcadaverine
Categories:
Organic Chemistry > Amides

Description

Solid

N-acetylcadaverine is an N-substituted cadaverine that is cadaverine in which one of the amino groups has been converted to the corresponding acetamide. It has a role as a human metabolite. It is a secondary carboxamide, a primary amino compound, a member of acetamides and a N-substituted cadaverine. It derives from a cadaverine. It is a conjugate base of a N-acetylcadaverine(1+).

Acetylcadaverine Basic Attributes

Molecular Weight：

144.21

Exact Mass：

144.21

DSSTox ID：

DTXSID30186068

Characteristics

PSA：

55.1 Å²

Density：

0.938±0.06 g/cm3

Boiling Point：

105-110 °C @ Press: 20 Torr

Refractive Index：

1.4790-1.4830

PKA：

16.48±0.46

Collision Cross Section：

132.9 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|131.77 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]

Safety Information

Packing level：

III

Hazard category：

Transport codes：

2735

GHS Classification：

|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

monoacetylcadaverine

Computed Properties

Molecular Weight:144.21
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:144.126263138
Monoisotopic Mass:144.126263138
Topological Polar Surface Area:55.1
Heavy Atom Count:10
Complexity:93.6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes