(S)-(-)-2-Amino-4-methyl-1,1-diphenyl-1-pentanol

HCID 10945486CAS 78603-97-1

기본 정보

표준 SMILES: CC(C)C[C@H](N)C(O)(c1ccccc1)c1ccccc1
InChIKey: XECSMDWXBMBRDE-KRWDZBQOSA-N
분자식: C18H23NO
평균 분자량: 269.4 g/mol
단동위원소 질량: 269.17796436

이름 및 식별자

우선 이름: (S)-(-)-2-Amino-4-methyl-1,1-diphenyl-1-pentanol
IUPAC: (2S)-2-amino-4-methyl-1,1-diphenylpentan-1-ol
영어명: (S)-(-)-2-AMINO-4-METHYL-1,1-DIPHENYL-1-PENTANOL
분자식: C18H23NO
분자량: 269.38

이름 및 동의어

78603-97-1(S)-(-)-2-Amino-4-methyl-1,1-diphenyl-1-pentanolDTXSID70449346alpha-[(1S)-1-Amino-3-methylbutyl]-alpha-phenylbenzenemethanolalpha-((1S)-1-Amino-3-methylbutyl)-alpha-phenylbenzenemethanolRefChem:407684DTXCID00400167623-448-4(2S)-2-AMINO-4-METHYL-1,1-DIPHENYLPENTAN-1-OL(S)-2-Amino-4-methyl-1,1-diphenylpentan-1-olSCHEMBL4918492XECSMDWXBMBRDE-KRWDZBQOSA-N

이름 더 보기

)-2-Amino-4-methyl-1，1-diphenyl-1-pentanol(S)-(?)-2-Amino-4-methyl-1,1-diphenyl-1-pentanolBenzenemethanol, α-[(1S)-1-amino-3-methylbutyl]-α-phenyl-(S)-(-)-2-AMINO-4-METHYL-1,1-DIPHENYL-1-PENTANOL USP/EP/BP

AKOS015911394AS-88031DB-075498G82772(S)-2-amino-1,1-diphenyl-4-methylpentan-1-ol|_-[(1S)-1-Amino-3-methylbutyl]-|_-phenylbenzenemethanol(S)-(-)-2-Amino-4-methyl-1,1-diphenyl-1-pentanol, 98%

데이터베이스 식별자

CAS: 78603-97-1
PubChem CID: 10945486
DTXSID: DTXSID70449346
EC Number: 623-448-4
Nikkaji: J62.098J

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 46.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 5
무거운 원자 수: 20
형식 전하: 0
복잡도: 259

물리화학적 성질

녹는점: 132 · 132-136 °C (lit.)
끓는 점: 436.6 · 436.6±40.0 °C(Predicted)
밀도: 1.059 · 1.059±0.06 g/cm3(Predicted)
인화점: 48 °C · 48 °C
산도 계수 (pKa): 11.41 · 11.41±0.42(Predicted)
InChI: 1S/C18H23NO/c1-14(2)13-17(19)18(20,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14,17,20H,13,19H2,1-2H3/t17-/m0/s1
InChIKey: XECSMDWXBMBRDE-KRWDZBQOSA-N
SMILES: CC(C)C[C@H](N)C(O)(c1ccccc1)c2ccccc2

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.