[email protected]
CAS 10603-45-9 3-Bromo-1-methylpyrrolidine molecular structure lightbox
CAS RN: 10603-45-9

3-Bromo-1-methylpyrrolidine

  • Product code: SSC-007692
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: 0.25g
  • Available purity: ＞97%
  • 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 10603-45-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

10603-45-9 / 3-bromo-1-methylpyrrolidine

3-Bromo-1-methylpyrrolidine | DTXSID30547751 | RefChem:498259

Standard CAS: 10603-45-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10603-45-9
Multi CAS
No
Molecular Formula
C5H10BrN
Molecular Weight
164.040000
Exact Mass
162.999660
SMILES
CN1CCC(C1)Br
InChI
InChI=1S/C5H10BrN/c1-7-3-2-5(6)4-7/h5H,2-4H2,1H3
InChIKey
ZHUYTHOKJZSZQJ-UHFFFAOYSA-N
Synonyms
3-Bromo-1-methylpyrrolidine DTXSID30547751 RefChem:498259 DTXCID10498535 106-289-0

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
34.83
TPSA
3.24

LogP / Solubility

WLOGP
1.09
MLOGP
0.95
XLogP3
1.2
Consensus LogP
1.08
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.69
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.63
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)
-2.95

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

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P370+P378, P403+P235, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us