n,n-Dimethylpiperazine-1-carboxamide

HCID 712909CAS 41340-78-7

Substructure search Find similar structures

Basic information

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 properties

XLogP: -0.9
Topological polar surface area: 35.6 Å²
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
Hazard Codes: Xi
Risk Statements: 36 · 36-22
Safety Statements: 26 · 26-24/25-23
RIDADR: 1760 · UN1760
WGK Germany: 3 · WGK 3
Hazard Note: Irritant
HazardClass: 8 · 8
HS Code: 29339900 · 29339900
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 C · Skin Corr. 1C
Limited Quantities: 5 kg · 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

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)
Hazard Classifications: Skin Corr. 1C
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405