NH2-C2-NH-Boc

Name: NH2-C2-NH-Boc
SKU: PI57260738
Rating: 5 (1 reviews)

Catalog NumberPI57260738

CAS Number57260-73-8

CategoryAntiparkinson Agents Intermediates

Product Details

Synonyms	tert-Butyl (2-aminoethyl)carbamate
Purity	97%
Molecular Formula	C7H16N2O2
Linear Formula	(CH3)3COC(O)NHCH2CH2NH2
Molecular Weight	160.21
Molar Refractivity	42.98

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Other Identifiers

Pubchem ID	187201
InChI Key	AOCSUUGBCMTKJH-UHFFFAOYSA-N
MDL Number	MFCD00191871

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	0.47
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.86
Ghose	None
GI Absorption	High
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.28 cm/s
Log Po/w (iLOGP)	1.87
Log Po/w (MLOGP)	0.3
Log Po/w (SILICOS-IT)	-0.27
Log Po/w (WLOGP)	0.47
Log Po/w (XLOGP3)	-0.01
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	5
Synthetic Accessibility	1.95
Topological Polar Surface Area	64.35 Å²
Veber	0.0

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