4-Amino-3,3-dimethyl-1-butanol - CAS 622865-33-2
Catalog: |
BB031504 |
Product Name: |
4-Amino-3,3-dimethyl-1-butanol |
CAS: |
622865-33-2 |
Synonyms: |
4-amino-3,3-dimethyl-1-butanol; 4-amino-3,3-dimethylbutan-1-ol |
IUPAC Name: | 4-amino-3,3-dimethylbutan-1-ol |
Description: | 4-Amino-3,3-dimethyl-1-butanol (CAS# 622865-33-2) is a useful research chemical. |
Molecular Weight: | 117.19 |
Molecular Formula: | C6H15NO |
Canonical SMILES: | CC(C)(CCO)CN |
InChI: | InChI=1S/C6H15NO/c1-6(2,5-7)3-4-8/h8H,3-5,7H2,1-2H3 |
InChI Key: | INBMMXYCODJFAA-UHFFFAOYSA-N |
LogP: | 1.05400 |
GHS Hazard Statement: | H227 (100%): Combustible liquid [Warning Flammable liquids] |
Precautionary Statement: | P210, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
EP-3310787-B1 | Taggable heteroaromatic drugs and conjugates thereof | 20150618 |
EP-3310787-B9 | Taggable heteroaromatic drugs and conjugates thereof | 20150618 |
WO-2016203478-A1 | Taggable heteroaromatic drugs and conjugates thereof | 20150618 |
US-10590413-B2 | Chiral control | 20120713 |
US-2015211006-A1 | Chiral control | 20120713 |
Complexity: | 61.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 117.115364102 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 117.115364102 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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