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CAS 119392-95-9 (R)-(+)-N,N-DIMETHYL-1-(1-NAPHTHYL)ETHYLAMINE molecular structure lightbox
CAS RN: 119392-95-9

(R)-(+)-N,N-DIMETHYL-1-(1-NAPHTHYL)ETHYLAMINE

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Batchno.20250227 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS119392-95-9
  • Purity/Analytical Methods: >99.0%
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119392-95-9 / (1R)-N,N-dimethyl-1-naphthalen-1-ylethanamine

DIMETHYL[(1R)-1-(NAPHTHALEN-1-YL)ETHYL]AMINE | DIMETHYL[(1S)-1-(NAPHTHALEN-1-YL)ETHYL]AMINE | SCHEMBL2456781

Standard CAS: 119392-95-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
119392-95-9
Multi CAS
Yes
Molecular Formula
C14H17N
Molecular Weight
199.290000
Exact Mass
199.136100
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)N(C)C
InChI
InChI=1S/C14H17N/c1-11(15(2)3)13-10-6-8-12-7-4-5-9-14(12)13/h4-11H,1-3H3/t11-/m1/s1
InChIKey
AXRXYILTIWBHEP-LLVKDONJSA-N
Synonyms
DIMETHYL[(1R)-1-(NAPHTHALEN-1-YL)ETHYL]AMINE DIMETHYL[(1S)-1-(NAPHTHALEN-1-YL)ETHYL]AMINE SCHEMBL2456781 SCHEMBL8758494 SCHEMBL10257157

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
66.05
TPSA
3.24

LogP / Solubility

WLOGP
3.46
MLOGP
3.05
XLogP3
3.4
Consensus LogP
3.3
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly 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)
-1.48

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
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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