1-((Pyrrolidine-1-carbonyl)methyl)piperazine

HCID 100614
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Basic information

CAS
39890-45-4
Standard SMILES
O=C(CN1CCNCC1)N1CCCC1
InChIKey
KYBCXTTWIOZBNR-UHFFFAOYSA-N
Molecular formula
C10H19N3O
Average molar mass
197.28 g/mol
Monoisotopic mass
197.15281223

Names & identifiers

Preferred name
1-((Pyrrolidine-1-carbonyl)methyl)piperazine
IUPAC
2-piperazin-1-yl-1-pyrrolidin-1-ylethanone
English name
1-((Pyrrolidine-1-carbonyl)methyl)piperazine
Molecular formula
C10H19N3O
Molecular weight
197.28

Names & synonyms

1-((Pyrrolidine-1-carbonyl)methyl)piperazineEINECS 254-677-4DTXSID70192926NSC 3307481-[(pyrrolidine-1-carbonyl)methyl]piperazineRefChem:418919DTXCID10115417254-677-439890-45-41-(Pyrrolidinocarbonylmethyl)piperazine2-(piperazin-1-yl)-1-(pyrrolidin-1-yl)ethanone1-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine
Show more names
TIMTEC-BB SBB005547RARECHEM AH CK 0169Cinepazide Impurity BLABOTEST-BB LT00233248Cinepazide Impurities11Cinepazide Impurities1399Piperazino-1-acetylpyrrolidinePIPERAZINOACETIC ACID-PYRROLIDIDE
2-(piperazin-1-yl)-1-(pyrrolidin-1-yl)ethan-1-oneMFCD000059682-Piperazin-1-yl-1-pyrrolidin-1-yl-ethanoneCinepazide Impurity E2-piperazin-1-yl-1-pyrrolidin-1-ylethanone1-(Pyrrolidinecarbonylmethyl)piperazineNSC-330748Pyrrolidine, 1-(1-piperazinylacetyl)-

Database identifiers

CAS
39890-45-4
PubChem CID
100614
DTXSID
DTXSID70192926
ChEMBL
CHEMBL442202
UNII
P967U9WX3A
EC Number
254-677-4
Nikkaji
J236.363A

Properties

Computed structural properties

XLogP
-0.4
Topological polar surface area
35.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
75 °C · 75 °C
Boiling point
356.2 · 356.2±27.0 °C(Predicted)
Density
1.092 · 1.092±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
pka
9.02 · 9.02±0.10(Predicted)
CAS DataBase Reference
39890 · 39890-45-4(CAS DataBase Reference)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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 (100%)

Safety data

hs_code
29339900
risk_code
36/37/38-36-22-20/21/22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
safety_code
26-36-24/25-22

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers63 total

济南百隆化学有限公司[email protected] · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]

Related reactions

54 records
New reaction record

Compound notes

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