N-Acetylcadaverine

HCID 189087CAS 32343-73-0
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Grundinformationen

Standard-SMILES
CC(=O)NCCCCCN
InChIKey
RMOIHHAKNOFHOE-UHFFFAOYSA-N
Summenformel
C7H16N2O
Durchschnittliche Molmasse
144,21 g/mol
Monoisotopische Masse
144,12626313

Überblick

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 member of acetamides, a N-substituted cadaverine and a primary amino compound. It is functionally related to a cadaverine. It is a conjugate base of a N-acetylcadaverine(1+).

Namen und Bezeichner

Bevorzugter Name
N-Acetylcadaverine
IUPAC
N-(5-aminopentyl)acetamide
Englischer Name
monoacetylcadaverine
Summenformel
C7H16N2O
Molmasse
144.21

Namen und Synonyme

n-(5-aminopentyl)acetamideN-AcetylcadaverineacetylcadaverineMonoacetyl cadaverineCHEBI:88824RefChem:828903691-456-532343-73-0MonoacetylcadaverineMFCD19204554Acetamide, N-(5-aminopentyl)-N-Acetyl-1,5-pentanediamine
Weitere Namen anzeigen
N-(5-Aminopentyl)acetamide >N-(5-Aminopentyl)acetamideInhibitor,Endogenous Metabolite,N(5Aminopentyl)acetamide,N (5 Aminopentyl)acetamide,inhibit
N-Acetylcadaverine;N-(5-Aminopentyl)acetamide; Acetylcadaverine; Monoacetyl Cadaverine;SCHEMBL346746orb1221135orb1301983SCHEMBL15058005DTXSID30186068RMOIHHAKNOFHOE-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS
32343-73-0
PubChem CID
189087
DTXSID
DTXSID30186068
ChEBI
CHEBI:88824
EC Number
691-456-5
Nikkaji
J810.711D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
-0,3
Polarare Oberfläche (TPSA)
55,1 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
5
Schwere Atome
10

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid
Collision Cross Section132.9 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]

Physikochemische Eigenschaften

Siedepunkt
110 °C/0.02mmHg · 110°C/0.02mmHg(lit.)
Dichte
0.938 · 0.938±0.06 g/cm3(Predicted)
Brechungsindex
1.479 · 1.4790-1.4830
storage temp.
-20 °C · -20°C
Löslichkeit
Chloroform (Slightly), Dichloromethane (Slightly)
pka
16.48 · 16.48±0.46(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1C (100%)

Sicherheitsdaten

ridadr
2735
hs_code
2924.19.1150
hazard_class
8
packing_group
III

Chemie und Industrie

Anbieter43 Anbieter

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

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