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CAS 1017474-07-5 1-(1-cyclopropyl-3-pyrrolidinyl)methanamine(SALTDATA: 2HCl) molecular structure lightbox
CAS RN: 1017474-07-5

1-(1-cyclopropyl-3-pyrrolidinyl)methanamine(SALTDATA: 2HCl)

  • Product code: SSC-002724
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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: 5g
  • Available purity: ≥95%
  • 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 1017474-07-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1017474-07-5 / (1-cyclopropylpyrrolidin-3-yl)methanamine

(1-cyclopropylpyrrolidin-3-yl)methanamine | RefChem:392164 | 961-235-0

Standard CAS: 1017474-07-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1017474-07-5
Multi CAS
Yes
Molecular Formula
C8H16N2
Molecular Weight
140.230000
Exact Mass
140.131349
SMILES
C1CC1N2CCC(C2)CN
InChI
InChI=1S/C8H16N2/c9-5-7-3-4-10(6-7)8-1-2-8/h7-8H,1-6,9H2
InChIKey
SEWUODUTOWYMCK-UHFFFAOYSA-N
Synonyms
(1-cyclopropylpyrrolidin-3-yl)methanamine RefChem:392164 961-235-0 1-(1-cyclopropyl-3-pyrrolidinyl)methanamine MFCD09932873

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.76
TPSA
29.26

LogP / Solubility

WLOGP
0.43
MLOGP
0.37
XLogP3
0.3
Consensus LogP
0.37
Log S (ESOL)
-0.85
Class (ESOL)
Very soluble
Log S (Ali)
-1.02
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-3.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501

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