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CAS 132365-02-7 N-Benzyl-N-(but-3-en-1-yl)but-3-en-1-aMine molecular structure lightbox
CAS RN: 132365-02-7

N-Benzyl-N-(but-3-en-1-yl)but-3-en-1-aMine

  • Product code: SSC-039291
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 132365-02-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Shenzhen Inquiry
5g >95% 0 Out of Stock Shanghai Inquiry

132365-02-7 / N-benzyl-N-but-3-enylbut-3-en-1-amine

Standard CAS: 132365-02-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
132365-02-7
Multi CAS
No
Molecular Formula
C15H21N
Molecular Weight
215.330000
Exact Mass
215.167400
SMILES
C=CCCN(CCC=C)CC1=CC=CC=C1
InChI
InChI=1S/C15H21N/c1-3-5-12-16(13-6-4-2)14-15-10-8-7-9-11-15/h3-4,7-11H,1-2,5-6,12-14H2
InChIKey
XLFNQQVWGHEPGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
71.35
TPSA
3.24

LogP / Solubility

WLOGP
3.64
MLOGP
3.21
XLogP3
4
Consensus LogP
3.62
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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