Pentanimidamide Hydrochloride

HCID 11615174CAS 18257-46-0

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Basic information

Standard SMILES: CCCCC(=N)N.Cl
InChIKey: FFHQVTXPIOPINO-UHFFFAOYSA-N
Molecular formula: C5H13ClN2
Average molar mass: 136.62 g/mol
Monoisotopic mass: 136.0767261

Names & identifiers

Preferred name: Pentanimidamide Hydrochloride
IUPAC: pentanimidamide;hydrochloride
English name: PentaniMidaMide Hydrochloride
Molecular formula: C5H13ClN2
Molecular weight: 136.62312

Names & synonyms

Pentanimidamide HydrochlorideDTXSID60469457RefChem:1094510DTXCID1042027518257-46-0Pentanimidamide, hydrochloride (1:1)pentanimidamide;hydrochlorideMFCD11052491Pentanimidamide, monohydrochloridePentanimidamideHydrochloridePentanimidamide, HClvaleramidine hydrochloride

Show more names

Butylamidine hydrochloridePentanamidine hydrochloridePentanimidamide hydrochloride or Valeramidine hydrochloride

SCHEMBL3228pentanimidoylammonium;chlorideFFHQVTXPIOPINO-UHFFFAOYSA-NTAA25746AKOS016008980Pentanimidamide--hydrogen chloride (1/1)SY020382DB-309164

Database identifiers

CAS: 18257-46-0
PubChem CID: 11615174
DTXSID: DTXSID60469457

Properties

Computed structural properties

Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 59

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07,GHS02
Signal word: Warning
Hazard statements: 315 · H315-H319-H226
Precautionary statements: 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07,GHS02
Hazard statements: H315-H319-H226
Precautionary statements: P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235