Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 130985-79-4 | MDL No. : | MFCD18483183 |
Formula : | C6H16ClN | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | OUCMHHDNEZEEFG-UHFFFAOYSA-N |
M.W : | 137.65 g/mol | Pubchem ID : | 54592666 |
Synonyms : |
|
Num. heavy atoms : | 8 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 1.0 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 1.0 |
Num. H-bond donors : | 1.0 |
Molar Refractivity : | 40.72 |
TPSA : | 12.03 Ų |
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) : | -5.51 cm/s |
Log Po/w (iLOGP) : | 0.0 |
Log Po/w (XLOGP3) : | 2.29 |
Log Po/w (WLOGP) : | 2.05 |
Log Po/w (MLOGP) : | 1.89 |
Log Po/w (SILICOS-IT) : | 0.94 |
Consensus Log Po/w : | 1.43 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 2.0 |
Bioavailability Score : | 0.55 |
Log S (ESOL) : | -1.94 |
Solubility : | 1.59 mg/ml ; 0.0115 mol/l |
Class : | Very soluble |
Log S (Ali) : | -2.18 |
Solubility : | 0.909 mg/ml ; 0.0066 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -1.87 |
Solubility : | 1.84 mg/ml ; 0.0134 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 0.0 alert |
Leadlikeness : | 1.0 |
Synthetic accessibility : | 1.04 |
Signal Word: | Warning | Class: | |
Precautionary Statements: | P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501 | UN#: | |
Hazard Statements: | H315-H319-H335 | Packing Group: | |
GHS Pictogram: |
![]() |
[ 161353-93-1 ]
N-(Cyclohexylmethyl)-n-methylamine, HCl
Similarity: 0.89
[ 1251925-47-9 ]
1-Cyclobutyl-N-methylmethanamine hydrochloride
Similarity: 0.89
[ 77335-18-3 ]
N-(Cyclopropylmethyl)-N-methylamine Hydrochloride
Similarity: 0.88
[ 1773-99-5 ]
1-(Adamantan-1-yl)-N-methylmethanamine hydrochloride
Similarity: 0.84