1-(3,4-Dihydro-2-naphthyl)pyrrolidine

HCID 88889

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Basic information

CAS: 21403-95-2
Standard SMILES: C1=C(N2CCCC2)CCc2ccccc21
InChIKey: YWYAUYAEQBYZFN-UHFFFAOYSA-N
Molecular formula: C14H17N
Average molar mass: 199.29 g/mol
Monoisotopic mass: 199.13609954

Names & identifiers

Preferred name: 1-(3,4-Dihydro-2-naphthyl)pyrrolidine
IUPAC: 1-(3,4-dihydronaphthalen-2-yl)pyrrolidine
English name: 1-(3,4-Dihydro-2-naphthyl)pyrrolidine
Molecular formula: C14H17N
Molecular weight: 199.29

Names & synonyms

1-(3,4-Dihydro-2-naphthyl)pyrrolidine21403-95-2EINECS 244-371-9DTXSID90175675RefChem:422823DTXCID2098166244-371-91-(3,4-dihydronaphthalen-2-yl)pyrrolidinePyrrolidine, 1-(3,4-dihydro-2-naphthalenyl)-1-(3,4-Dihydro-2-naphthyl)-pyrrolidine37WA59S9WRSCHEMBL1637987

Show more names

1-(3,4-Dihydro-2-naphthyl)pyrrolidine 97%1-(3,4-DIHYDRO-2-NAPHTHYL)PYRROLIDINE, 9 7%1-[(3,4-Dihydronaphthalene)-2-yl]pyrrolidine3-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]benzenesulfonyl fluoride

MFCD000016742-pyrrolidino-3,4-dihydronaphthaleneAKOS0158981571,2-dihydro-3-pyrrolidinyl-naphthalene1-(3,4-dihydro-2-napthyl)pyrrolidine3,4-Dihydronaphthalene, 2-pyrrolidino-1,2-dihydro- 3-pyrrolidinyl-naphthalene1-(3,4-Dihydro-2-naphthalenyl)pyrrolidine

Database identifiers

CAS: 21403-95-2
PubChem CID: 88889
DTXSID: DTXSID90175675
UNII: 37WA59S9WR
EC Number: 244-371-9
Nikkaji: J226.199E

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 250

Physicochemical properties

Melting point: 82 · 82-84 °C (lit.)
storage temp.: 2 · 2-8°C
InChI: 1S/C14H17N/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h1-2,5-6,11H,3-4,7-10H2
InChIKey: YWYAUYAEQBYZFN-UHFFFAOYSA-N
SMILES: C1CCN(C1)C2=Cc3ccccc3CC2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.