n,n-Dimethylpiperazine-1-carboxamide
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Basic information
- CAS
41340-78-7- Standard SMILES
CN(C)C(=O)N1CCNCC1- InChIKey
XMFYMWXCIWIHAC-UHFFFAOYSA-N- Molecular formula
- C7H15N3O
- Average molar mass
- 157.21 g/mol
- Monoisotopic mass
- 157.1215121
Names & identifiers
- Preferred name
- n,n-Dimethylpiperazine-1-carboxamide
- IUPAC
- N,N-dimethylpiperazine-1-carboxamide
- English name
- Piperazine-1-carboxylic acid dimethylamide
- Molecular formula
- C7H15N3O
- Molecular weight
- 157.21
Names & synonyms
n,n-dimethylpiperazine-1-carboxamide41340-78-7DTXSID50351897RefChem:359406DTXCID30302963Piperazine-1-carboxylic acid dimethylamideMFCD01050443N,N-dimethyl-1-piperazinecarboxamide1-Piperazinecarboxamide, N,N-dimethyl-piperazine-1-carboxylic acid dimethyl amideN,N-dimethylpiperazinylcarboxamideHMS1551O20
Show more names
AKOS BBS-00005897CBI-BB ZERO/006038TIMTEC-BB SBB0025831-(Dimethylcarbamoyl)piperazinePiperazine-1-carboxylic acid dimet1-Piperazinecarboxamide,N,N-dimethyl-(9CI)
AKOS002245260piperazine carboxylic acid dimethylamideA1AKBPiperazine-1-carboxylic acid, dimethylamideCS-0151344Z270760338BCP186821-Piperazinecarboxamide,N,N-dimethyl-
Database identifiers
- CAS
41340-78-7- PubChem CID
- 712909
- DTXSID
DTXSID50351897- ChEMBL
CHEMBL1616670- EC Number
- 674-590-9
Properties
Computed structural propertiesFilling in
- XLogP
- -0.9
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 79 · 79-80°C/0.2mm
- Density
- 1.058 · 1.058±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 8.55 · 8.55±0.10(Predicted)
- form
- solid
- color
- Pale yellow
- InChI
- InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
- InChIKey
- XMFYMWXCIWIHAC-UHFFFAOYSA-N
- SMILES
- N1(C(N(C)C)=O)CCNCC1
- CAS DataBase Reference
- 41340 · 41340-78-7(CAS DataBase Reference)
- UNSPSC Code
- 12352106 · 12352106
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
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
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 3
- ridadr
- UN1760
- hs_code
- 29339900
- risk_code
- 36-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-24/25-23
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
44 records
Compound notes
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