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N,N-Diethylpiperazine-1-carboxamide

HCID 67067
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
119-54-0
Standard SMILES
CCN(CC)C(=O)N1CCNCC1
InChIKey
IWJSZNIFIDAYDY-UHFFFAOYSA-N
Molecular formula
C9H19N3O
Average molar mass
185.27 g/mol
Monoisotopic mass
185.15281224

Names & identifiers

Preferred name
N,N-Diethylpiperazine-1-carboxamide
IUPAC
N,N-diethylpiperazine-1-carboxamide
English name
Piperazine-1-carboxylic acid diethylamide
Molecular formula
C9H19N3O
Molecular weight
185.27

Names & synonyms

N,N-Diethylpiperazine-1-carboxamide1-Piperazinecarboxamide, N,N-diethyl-N,N-diethyl-1-piperazinecarboxamideBRN87C278XEINECS 204-332-9DTXSID90152284RefChem:161201DTXCID9074775204-332-9119-54-0Piperazine-1-carboxylic acid diethylamideMFCD06796284
Show more names
SubdamineAKOS BBS-00005896TIMTEC-BB SBB0101881-DiethylcarbamylpiperazinePiperazine-1-carboxylic acid dieth1-(N,N-Diethylcarbamoyl)piperazine1-Piperazine,N,N-Diethyl carboxamide
n,n-diethyl-1-piperazine carboxamideN,N-diethylpiperazinylcarboxamidediethylcarbamylpiperazineUNII-BRN87C278XSCHEMBL2420417SCHEMBL4612540SBB010188AKOS000134172

Database identifiers

CAS
119-54-0
PubChem CID
67067
DTXSID
DTXSID90152284
UNII
BRN87C278X
EC Number
204-332-9
Nikkaji
J5.529H

Properties

Computed structural propertiesFilling in

XLogP
-0.2
Topological polar surface area
35.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Formal charge
0
Complexity
162

Physicochemical properties

CAS DataBase Reference
119 · 119-54-0(CAS DataBase Reference)
FDA UNII
87 C278X · BRN87C278X
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes
Xi
Risk Statements
36 · 36
Safety Statements
26 · 26
HazardClass
IRRITANT
HS Code
2933599590 · 2933599590

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal];H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (100%);Acute Tox. 4 (100%)

Safety data

hs_code
2933599590
risk_code
36
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26
hazard_class
IRRITANT
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

UsesPIPERAZINE-1-CARBOXYLIC ACID DIETHYLAMIDE is used as an intermediate in the antifilarial drug serotonin.

Upstream & downstream products

Upstream raw materials

Piperazine hexahydrateDiethylcarbamyl chloride

Suppliers

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Related reactions

2 records
New reaction record
HRID 1212525 reaction equation
HRID 1212525As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2290782 reaction equation
HRID 2290782As reactantuspto-grants-1986_10

Compound notes

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