CAS RN: 1190890-11-9
(S)-(2-Aminomethyl)-1-N-Boc-pyrrolidine HCl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260217 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1190890-11-9
- Purity/Analytical Methods: >99.0%
1190890-11-9 / tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;hydrochloride
tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride | (+/-)-2-(AMINOMETHYL)-1-N-BOC-PYRROLIDINE-HCl | tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;hydrochloride
Basic Information
CAS
1190890-11-9
Multi CAS
Yes
Molecular Formula
C10H21ClN2O2
Molecular Weight
236.740000
Exact Mass
236.129156
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CN.Cl
InChI
InChI=1S/C10H20N2O2.ClH/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11;/h8H,4-7,11H2,1-3H3;1H/t8-;/m0./s1
InChIKey
MQYQQPSDLQAGFQ-QRPNPIFTSA-N
Synonyms
tert-Butyl 2-(aminomethyl)pyrrolidine-1-carboxylate hydrochloride
(+/-)-2-(AMINOMETHYL)-1-N-BOC-PYRROLIDINE-HCl
tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;hydrochloride
(+/-)-2-(aminomethyl)-1-n-boc-pyrrolidine hydrochloride
DTXSID40662444
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.26
TPSA
55.56
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.77
Consensus LogP
1.7
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.78
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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