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CAS 29802-26-4 S-N1,N1-DiMethyl-3-phenylpropane-1,2-diaMine 2HCl molecular structure lightbox
CAS RN: 29802-26-4

S-N1,N1-DiMethyl-3-phenylpropane-1,2-diaMine 2HCl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 10mg / 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-132985
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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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 29802-26-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shenzhen Inquiry
1g ≥95% 1 In Stock Hong Kong Inquiry

29802-26-4 / (2S)-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine

Standard CAS: 29802-26-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
29802-26-4
Multi CAS
Yes
Molecular Formula
C11H18N2
Molecular Weight
178.270000
Exact Mass
178.146999
InChI
InChI=1S/C11H18N2/c1-13(2)9-11(12)8-10-6-4-3-5-7-10/h3-7,11H,8-9,12H2,1-2H3/t11-/m0/s1
InChIKey
HKHSRJNAQHRMGT-NSHDSACASA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.68
TPSA
29.26

LogP / Solubility

WLOGP
1.12
MLOGP
0.98
XLogP3
1.4
Consensus LogP
1.17
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
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)
-3.01

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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