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CAS 102-49-8 3,4-Dichlorobenzylamine molecular structure lightbox
CAS RN: 102-49-8

3,4-Dichlorobenzylamine

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250602 100g Out of stock Inquiry
Batchno.20250322 1g In stock Inquiry
Batchno.20250127 25g In stock Inquiry
Batchno.20250815 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251031 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Chongqing, Shandong Inquiry
  • Product code: SSC-003183
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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, 100g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 102-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 1 In Stock Beijing Inquiry
10g ≥95% 0 Out of Stock Beijing Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

102-49-8 / (3,4-dichlorophenyl)methanamine

3,4-Dichlorobenzylamine | Benzenemethanamine, 3,4-dichloro- | Benzylamine, 3,4-dichloro-

Standard CAS: 102-49-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
102-49-8
Multi CAS
Yes
Molecular Formula
C7H7Cl2N
Molecular Weight
176.040000
Exact Mass
174.995555
SMILES
C1=CC(=C(C=C1CN)Cl)Cl
InChI
InChI=1S/C7H7Cl2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H,4,10H2
InChIKey
IXHNFOOSLAWRBQ-UHFFFAOYSA-N
Synonyms
3,4-Dichlorobenzylamine Benzenemethanamine, 3,4-dichloro- Benzylamine, 3,4-dichloro- EINECS 203-035-1 NSC 25065

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.35
TPSA
26.02

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
2.5
Consensus LogP
2.37
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
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)
-2.05

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
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (87.2%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501

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