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CAS 31788-88-2 (2-AMINO-2-PHENYLETHYL)DIMETHYLAMINE molecular structure lightbox
CAS RN: 31788-88-2

(2-AMINO-2-PHENYLETHYL)DIMETHYLAMINE

  • Product code: SSC-137233
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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 31788-88-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

31788-88-2 / N',N'-dimethyl-1-phenylethane-1,2-diamine

Standard CAS: 31788-88-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
31788-88-2
Multi CAS
Yes
Molecular Formula
C10H16N2
Molecular Weight
164.250000
Exact Mass
164.131349
InChI
InChI=1S/C10H16N2/c1-12(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
InChIKey
NPGAXSHDDOESHB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.92
TPSA
29.26

LogP / Solubility

WLOGP
1.25
MLOGP
1.09
XLogP3
1.3
Consensus LogP
1.21
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately 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)
-2.84

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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