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CAS 163831-65-0 (R)-(-)-N-BENZYL-1-(1-NAPHTHYL)ETHYLAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 163831-65-0

(R)-(-)-N-BENZYL-1-(1-NAPHTHYL)ETHYLAMINE HYDROCHLORIDE

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251230 100mg / 250mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260529 100mg In stock Shanghai Inquiry
Batchno.20260209 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260113 250mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS163831-65-0
  • Purity/Analytical Methods: >99.0%
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163831-65-0 / (1R)-N-benzyl-1-naphthalen-1-ylethanamine;hydrochloride

Standard CAS: 163831-65-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
163831-65-0
Multi CAS
No
Molecular Formula
C19H20ClN
Molecular Weight
297.800000
Exact Mass
297.128427
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC=CC=C3.Cl
InChI
InChI=1S/C19H19N.ClH/c1-15(20-14-16-8-3-2-4-9-16)18-13-7-11-17-10-5-6-12-19(17)18;/h2-13,15,20H,14H2,1H3;1H/t15-;/m1./s1
InChIKey
KCLJDAVYFCDIDY-XFULWGLBSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.16
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
92.89
TPSA
12.03

LogP / Solubility

WLOGP
5.11
MLOGP
4.51
XLogP3
5.11
Consensus LogP
4.91
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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