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CAS 1213024-91-9 (1R)-1-(2,6-DIMETHYLPHENYL)ETHYLAMINE-HCl molecular structure lightbox
CAS RN: 1213024-91-9

(1R)-1-(2,6-DIMETHYLPHENYL)ETHYLAMINE-HCl

  • Product code: SSC-023185
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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 1213024-91-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1213024-91-9 / (1R)-1-(2,6-dimethylphenyl)ethanamine;hydrochloride

(1R)-1-(2,6-dimethylphenyl)ethylamine | MFCD08057436 | (1R)-1-(2,6-dimethylphenyl)ethanamine

Standard CAS: 1213024-91-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213024-91-9
Multi CAS
Yes
Molecular Formula
C10H16ClN
Molecular Weight
185.690000
Exact Mass
185.097127
SMILES
CC1=C(C(=CC=C1)C)[C@@H](C)N.Cl
InChI
InChI=1S/C10H15N/c1-7-5-4-6-8(2)10(7)9(3)11/h4-6,9H,11H2,1-3H3/t9-/m1/s1
InChIKey
DBGFBJSZKVHNAC-SECBINFHSA-N
Synonyms
(1R)-1-(2,6-dimethylphenyl)ethylamine MFCD08057436 (1R)-1-(2,6-dimethylphenyl)ethanamine (R)-1-(2,6-dimethylphenyl)ethan-1-amine (R)-1-(2,6-Dimethylphenyl)ethanamine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.77
TPSA
26.02

LogP / Solubility

WLOGP
2.74
MLOGP
2.41
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly 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)
-1.9

Drug-likeness / Medicinal Chemistry

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

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