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CAS 55-86-7 Mechlorethamine hydrochloride molecular structure lightbox
CAS RN: 55-86-7

Mechlorethamine hydrochloride

  • Product code: SSC-162839
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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: ≥97%
  • Inventory rows with stock: 5
  • 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 55-86-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 5 In Stock Shenzhen Inquiry
5g ≥97% 5 In Stock Hong Kong Inquiry
10g ≥97% 5 In Stock Shenzhen Inquiry
25g ≥97% 5 In Stock Shenzhen Inquiry
100g ≥97% 3 In Stock Beijing Inquiry

55-86-7 / 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride

Standard CAS: 55-86-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
55-86-7
Multi CAS
Yes
Molecular Formula
C5H12CL3N
Molecular Weight
192.500000
Exact Mass
191.003532
InChI
InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H
InChIKey
QZIQJVCYUQZDIR-UHFFFAOYSA-N

Physical Properties

Melting Point
226 to 232 °F (NTP, 1992) 109-111 °C
Physical Description
Nitrogen mustard hydrochloride appears as white to off-white crystals or powder with a fishy odor. Initial pH (2% aqueous solution) 3.0-4.0. (NTP, 1992)
Appearance
Hygroscopic leaflets from acetone or chloroform White hygroscopic crystals White, crystalline, hygroscopic powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
46.19
TPSA
3.24

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.82
Consensus LogP
1.75
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.6

Drug-likeness / Medicinal Chemistry

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

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