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CAS 4584-49-0 2-Chloro-1-(dimethylamino)propane Hydrochloride molecular structure lightbox
CAS RN: 4584-49-0

2-Chloro-1-(dimethylamino)propane Hydrochloride

  • Product code: SSC-153451
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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: 25g
  • Available purity: ≥97%
  • 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 4584-49-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

4584-49-0 / 2-chloro-N,N-dimethylpropan-1-amine;hydrochloride

Standard CAS: 4584-49-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4584-49-0
Multi CAS
Yes
Molecular Formula
C5H13CL2N
Molecular Weight
158.070000
Exact Mass
157.042505
InChI
InChI=1S/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H
InChIKey
OCWGRWAYARCRTQ-UHFFFAOYSA-N

Physical Properties

Melting Point
381 to 383 °F (NTP, 1992)
Physical Description
2-chloro-n,n-dimethyl-1-propanamine hydrochloride is an off-white chunky solid. (NTP, 1992) Off-white hygroscopic solid; [CAMEO] White to light cream hygroscopic powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.12
TPSA
3.24

LogP / Solubility

WLOGP
1.6
MLOGP
1.4
XLogP3
1.6
Consensus LogP
1.53
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.01
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-2.55

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
2

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