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CAS 553-27-5 N,N-BIS(2-CHLOROETHYL)ANILINE molecular structure lightbox
CAS RN: 553-27-5

N,N-BIS(2-CHLOROETHYL)ANILINE

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250511 100g In stock Inquiry
Batchno.20250717 1g In stock Inquiry
Batchno.20260325 25g In stock Inquiry
Batchno.20250616 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260429 1g / 5g / 25g / 100g Confirm by inquiry Shandong 5-7 business days Inquiry
  • Product code: SSC-163159
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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 553-27-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

553-27-5 / N,N-bis(2-chloroethyl)aniline

Standard CAS: 553-27-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
553-27-5
Multi CAS
Yes
Molecular Formula
C10H13CL2N
Molecular Weight
218.120000
Exact Mass
217.042505
InChI
InChI=1S/C10H13Cl2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
ROSJKFFLIXTTAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
60.1
TPSA
3.24

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.9
Consensus LogP
2.83
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
Class (SILICOS-IT)
Slightly 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)
-1.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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