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CAS 104774-85-8 3-M-TOLYL-PROPYLAMINE molecular structure lightbox
CAS RN: 104774-85-8

3-M-TOLYL-PROPYLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251128 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-006520
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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: 0.25g
  • 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 104774-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

104774-85-8 / 3-(3-methylphenyl)propan-1-amine

3-(3-methylphenyl)propan-1-amine | DTXSID20506195 | RefChem:1066732

Standard CAS: 104774-85-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
104774-85-8
Multi CAS
No
Molecular Formula
C10H15N
Molecular Weight
149.230000
Exact Mass
149.120449
SMILES
CC1=CC(=CC=C1)CCCN
InChI
InChI=1S/C10H15N/c1-9-4-2-5-10(8-9)6-3-7-11/h2,4-5,8H,3,6-7,11H2,1H3
InChIKey
RPZPBNSHVQMWNY-UHFFFAOYSA-N
Synonyms
3-(3-methylphenyl)propan-1-amine DTXSID20506195 RefChem:1066732 DTXCID90457004 3-(3-Methylphenyl)-1-propanamine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.55
TPSA
26.02

LogP / Solubility

WLOGP
1.89
MLOGP
1.65
XLogP3
2.2
Consensus LogP
1.91
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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