8-Azabicyclo[3.2.1]octan-3-ol, 8-(1-methylethyl)-, (3-endo)- - CAS 3423-25-4

Name: 8-Azabicyclo[3.2.1]octan-3-ol, 8-(1-methylethyl)-, (3-endo)-
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022018
Product Name:	8-Azabicyclo[3.2.1]octan-3-ol, 8-(1-methylethyl)-, (3-endo)-
CAS:	3423-25-4
Synonyms:	(3-endo)-8-(1-Methylethyl)-8-azabicyclo[3.2.1]octan-3-ol (ACI); 1αH,5αH-Nortropan-3α-ol, 8-isopropyl- (8CI); 8-Azabicyclo[3.2.1]octan-3-ol, 8-(1-methylethyl)-, endo- (ZCI); Nortropine, 8-isopropyl- (7CI); 8-Isopropylnortropan-3α-ol; N -Isopropylnortropine

Technical Data

Related CAS:	259092-15-4 (8-Azabicyclo[3.2.1]octan-3-ol, 8-(1-methylethyl)-)
IUPAC Name:	8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
Description:	(3-endo)-3-Hydroxy-8-isopropyl-8-azabicyclo[3.2.1]octane (CAS# 3423-25-4) is an intermediate for the synthesis of (S)-(1R,3r,5S)-8-Isopropyl-8-azabicyclo[3.2.1]octan-3-yl 3-Hydroxy-2-phenylpropanoate (I824270), which is a compound that can be synthesized from Atropine (A794630), a nerve agent that occurs naturally in plants of the nightshade family.
Molecular Weight:	169.26
Molecular Formula:	C10H19NO
Canonical SMILES:	OC1CC2N(C(C)C)C(CC2)C1
InChI:	InChI=1/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3/t8-,9+,10+
InChI Key:	YYDQYSQZIUSKFN-MYJAWHEDNA-N
Boiling Point:	266.9±15.0 °C at 760 mmHg
Density:	1.037±0.06 g/cm3
LogP:	1.32040

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2021078996-A1	Hpk1 antagonists and uses thereof	20190913
US-2021078997-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-11028085-B2	Substituted isoindolin-1-ones and 2,3-dihydro-1h-pyrrolo[3,4-c]pyridin-1-ones as hpk1 antagonists	20190913
US-11034694-B2	Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-ones as HPK1 antagonists	20190913
WO-2021021979-A2	Hdac6 inhibitors and uses thereof	20190730

Complexity:	155
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.146664230
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.146664230
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6