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N-Acetylputrescine

N-Acetylputrescine structure

CAS No:
5699-41-2
Formula:
C6H14N2O
Chemical Name:
N-Acetylputrescine
Synonyms:
Acetamide,N-(4-aminobutyl)-;N-(4-Aminobutyl)acetamide;Acetylputrescine;Monoacetylputrescine;Putrescine,N-acetyl-;N-Acetylputrescine;N1-Acetyl putrescine;(4-(Acetylamino)butyl)amine
Categories:
Organic Chemistry > Amides

Description

ChEBI: An N-monoacetylalkane-alpha,omega-diamine that is the N-monoacetyl derivative of putrescine.

Solid

N-acetylputrescine is an N-monoacetylalkane-alpha,omega-diamine that is the N-monoacetyl derivative of putrescine. It has a role as a metabolite and a mouse metabolite. It is a N-monoacetylalkane-alpha,omega-diamine and a N-substituted putrescine. It is a conjugate base of a N-acetylputrescinium.

N-Acetylputrescine Basic Attributes

Molecular Weight：

130.18800

Exact Mass：

130.19

DSSTox ID：

DTXSID80205596

Characteristics

PSA：

58.61000

XLogP3：

1.40200

Appearance：

Solid

Density：

0.948g/cm3

Boiling Point：

162-163 °C @ Press: 3 Torr

Flash Point：

135.8ºC

Collision Cross Section：

128.3 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|127.22 Å² [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)]|131.7 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|137.57 Å² [M+Na]+ [CCS Type: DT, Method: stepped-field]|128.6 Å² [M+H]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|134.5 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]|128.4 Å² [M+H]+

Safety Information

Precautionary statement(s)：

P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501

Hazard Statements：

H314

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：

acetylputrescine

Computed Properties

Molecular Weight:130.19
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:130.110613074
Monoisotopic Mass:130.110613074
Topological Polar Surface Area:55.1
Heavy Atom Count:9
Complexity:83.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes