[email protected]
CAS 999-81-5 Chlorocholine Chloride molecular structure lightbox
CAS RN: 999-81-5

Chlorocholine Chloride

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250507 1ml In stock Shanghai, Shandong, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260108 250mg In stock Inquiry
  • Product code: SSC-213413
GET A QUOTE
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: 100g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 999-81-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Beijing Inquiry

999-81-5 / 2-chloroethyl(trimethyl)azanium chloride

Standard CAS: 999-81-5 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
999-81-5
Multi CAS
No
Molecular Formula
C5H13Cl2N
Molecular Weight
158.070000
Exact Mass
157.042505
SMILES
C[N+](C)(C)CCCl.[Cl-]
InChI
InChI=1S/C5H13ClN.ClH/c1-7(2,3)5-4-6;/h4-5H2,1-3H3;1H/q+1;/p-1
InChIKey
UHZZMRAGKVHANO-UHFFFAOYSA-M

Physical Properties

Melting Point
473 °F Decomposes (EPA, 1998) 239 °C (decomposes)
Density
1.14 to 1.15 g/mL at 20 °C
Physical Description
Chlormequat chloride appears as white crystals with a fishlike odor. Used as a plant growth regulator. Said to be effective for cereal grains, tomatoes, and peppers. (EPA, 1998) White solid with a fishy odor; Very hygroscopic; [Merck Index] White crystalline solid; COLOURLESS-TO-WHITE EXTREMELY HYGROSCOPIC CRYSTALS WITH CHARACTERISTIC ODOUR.
Appearance
White cyrstalline solid Colorless crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
33.62
TPSA
0.0000

LogP / Solubility

WLOGP
-2.06
MLOGP
-1.82
XLogP3
-2.06
Consensus LogP
-1.98
Log S (ESOL)
0.61
Class (ESOL)
Highly soluble
Log S (Ali)
0.63
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.79
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.15

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

Customers Also Viewed

Get In Touch

Contact Us