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CAS 109-54-6 3-Chloro-1-(N,N-dimethyl)propylamine molecular structure lightbox
CAS RN: 109-54-6

3-Chloro-1-(N,N-dimethyl)propylamine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260311 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei, Chongqing 5-7 business days Inquiry
  • Product code: SSC-010188
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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, 100g
  • 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 109-54-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

109-54-6 / 3-chloro-N,N-dimethylpropan-1-amine

Dimethylaminopropyl chloride | 3-Chloro-N,N-dimethyl-1-propanamine | G41F3T7H6Q

Standard CAS: 109-54-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109-54-6
Multi CAS
Yes
Molecular Formula
C5H12ClN
Molecular Weight
121.610000
Exact Mass
121.065827
SMILES
CN(C)CCCCl
InChI
InChI=1S/C5H12ClN/c1-7(2)5-3-4-6/h3-5H2,1-2H3
InChIKey
NYYRRBOMNHUCLB-UHFFFAOYSA-N
Synonyms
Dimethylaminopropyl chloride 3-Chloro-N,N-dimethyl-1-propanamine G41F3T7H6Q DTXSID5043849 RefChem:495077

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
33.89
TPSA
3.24

LogP / Solubility

WLOGP
1.18
MLOGP
1.03
XLogP3
1.2
Consensus LogP
1.14
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-2.63

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (18%): Harmful if swallowed [Warning Acute toxicity, oral] H314 (20%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (18%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P337+P317, P363, P403+P233, P405, and P501

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