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CAS 121193-91-7 2-(Naphthalen-1-yl)pyrrolidine molecular structure lightbox
CAS RN: 121193-91-7

2-(Naphthalen-1-yl)pyrrolidine

  • Product code: SSC-022936
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 121193-91-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

121193-91-7 / 2-naphthalen-1-ylpyrrolidine

2-(naphthalen-1-yl)pyrrolidine | DTXSID30290391 | RefChem:254434

Standard CAS: 121193-91-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121193-91-7
Multi CAS
Yes
Molecular Formula
C14H15N
Molecular Weight
197.270000
Exact Mass
197.120449
SMILES
C1CC(NC1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C14H15N/c1-2-7-12-11(5-1)6-3-8-13(12)14-9-4-10-15-14/h1-3,5-8,14-15H,4,9-10H2
InChIKey
FEJHFYHZVJWOOE-UHFFFAOYSA-N
Synonyms
2-(naphthalen-1-yl)pyrrolidine DTXSID30290391 RefChem:254434 DTXCID00241537 857-654-2

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.93
TPSA
12.03

LogP / Solubility

WLOGP
3.26
MLOGP
2.87
XLogP3
3.1
Consensus LogP
3.08
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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