1-(3-Aminopropyl)-2-pipecoline

HCID 520211

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Basic information

CAS: 25560-00-3
Standard SMILES: CC1CCCCN1CCCN
InChIKey: YYAYTNPNFKPFNG-UHFFFAOYSA-N
Molecular formula: C9H20N2
Average molar mass: 156.27 g/mol
Monoisotopic mass: 156.16264865

Names & identifiers

Preferred name: 1-(3-Aminopropyl)-2-pipecoline
IUPAC: 3-(2-methylpiperidin-1-yl)propan-1-amine
English name: 1-(3-Aminopropyl)-2-pipecoline
Molecular formula: C9H20N2
Molecular weight: 156.27

Names & synonyms

1-(3-Aminopropyl)-2-pipecolineDTXSID701306410RefChem:423327DTXCID60173637325560-00-33-(2-methylpiperidin-1-yl)propan-1-amineN-(3-Aminopropyl)-2-pipecoline1-(3-Aminopropyl)-2-methylpiperidineMFCD000065172-METHYL-1-PIPERIDINEPROPANAMINE[3-(2-Methylpiperidin-1-yl)propyl]amine1-Piperidinepropanamine,2-methyl-,(2R)-(9CI)

Show more names

NAPPCAlbb-007153RARECHEM AL BW 0828N-AMINOPROPYL-2-PIPECOLINEN-3-AMINOPROPYL-2-PIRECOLINEA**1-(3-AMINOPROPYL)-2-PIPECOLINE

1-(3-aminopropyl)-2-methyl piperidine1-(3-Aminopropyl)-2-methylhexahydropyridineSCHEMBL448349SCHEMBL1879610SCHEMBL1879611SCHEMBL6163209YYAYTNPNFKPFNG-UHFFFAOYSA-3-(2-methylpiperidyl)propylamine

Database identifiers

CAS: 25560-00-3
PubChem CID: 520211
DTXSID: DTXSID701306410
Nikkaji: J149.314K

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 104

Physicochemical properties

Boiling point: 96 · 96-97 °C15 mm Hg(lit.)
Density: 0.889 g/mL · 0.889 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4765(lit.)
Flash point: 191 °F · 191 °F
storage temp.: 2 · Storage temp. 2-8°C
pka: 10.44 · 10.44±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow
InChI: 1S/C9H20N2/c1-9-5-2-3-7-11(9)8-4-6-10/h9H,2-8,10H2,1H3
InChIKey: YYAYTNPNFKPFNG-UHFFFAOYSA-N
SMILES: CC1CCCCN1CCCN
CAS DataBase Reference: 25560 · 25560-00-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
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
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 3267 · UN 3267 8/PG 3
WGK Germany: 3 · 3
HS Code: 2933.39 · 2933.39.9200
HazardClass: 8 · 8
PackingGroup: III
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3267 8/PG 3
hs_code: 2933.39.9200
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 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. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Applications · 1 item

UsesReactant for synthesis of: Photostable near-infrared cyanine dyes Quinazolindione derivatives as 5-HT3A receptor antagonists Melanocortin-4 receptor antagonists Brain penetrant aminoalkyl benzoimidazoles Selective nitric oxide formation inhibitors