[email protected]
CAS 17480-69-2 (S)-(-)-N-Benzyl-1-phenylethylamine molecular structure lightbox
CAS RN: 17480-69-2

(S)-(-)-N-Benzyl-1-phenylethylamine

  • Product code: SSC-076673
GET A QUOTE
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: 10g, 25g, 5g, 100g, 500g
  • Available purity: >97%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 17480-69-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
5g >97% 4 In Stock Hong Kong Inquiry
100g >97% 1 In Stock Hong Kong Inquiry
500g >97% 0 Out of Stock Shenzhen Inquiry

17480-69-2 / (1S)-N-benzyl-1-phenylethanamine

Standard CAS: 17480-69-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17480-69-2
Multi CAS
No
Molecular Formula
C15H17N
Molecular Weight
211.300000
Exact Mass
211.136100
SMILES
C[C@@H](C1=CC=CC=C1)NCC2=CC=CC=C2
InChI
InChI=1S/C15H17N/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14/h2-11,13,16H,12H2,1H3/t13-/m0/s1
InChIKey
ZYZHMSJNPCYUTB-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.14
TPSA
12.03

LogP / Solubility

WLOGP
3.54
MLOGP
3.11
XLogP3
3.2
Consensus LogP
3.28
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (88.9%): 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us