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CAS 102-48-7 3,4-Dimethylbenzylamine molecular structure lightbox
CAS RN: 102-48-7

3,4-Dimethylbenzylamine

  • Product code: SSC-003182
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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: 1g, 5g, 10g, 25g
  • Available purity: >97%
  • Inventory rows with stock: 1
  • 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 102-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry
10g >97% 0 Out of Stock Shenzhen Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

102-48-7 / (3,4-dimethylphenyl)methanamine

3,4-Dimethylbenzylamine | Benzenemethanamine, 3,4-dimethyl- | EINECS 203-034-6

Standard CAS: 102-48-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102-48-7
Multi CAS
Yes
Molecular Formula
C9H13N
Molecular Weight
135.210000
Exact Mass
135.104799
SMILES
CC1=C(C=C(C=C1)CN)C
InChI
InChI=1S/C9H13N/c1-7-3-4-9(6-10)5-8(7)2/h3-5H,6,10H2,1-2H3
InChIKey
PXNRCZQMDSDSHJ-UHFFFAOYSA-N
Synonyms
3,4-Dimethylbenzylamine Benzenemethanamine, 3,4-dimethyl- EINECS 203-034-6 DTXSID4059253 RefChem:563262

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.81
TPSA
26.02

LogP / Solubility

WLOGP
1.76
MLOGP
1.54
XLogP3
1.5
Consensus LogP
1.6
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
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)
-2.29

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (71.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (14.3%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501

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